A0A087X3X4_POEFO Loading...

Nucleoside diphosphate kinase homolog 7

Major role in the synthesis of nucleoside triphosphates other than ATP.

AlphaFold DB , UniProt , Accession A0A087X3X4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.2Very low66.7Low246 Ų24698.5 Ų98.5100%1.21250%0.495SS*.  097.10-74.1173.2-179.100107.1S3M1-S3 PolarHBondContact O-N 3.14Å; M1-S3 VanDerWaalsContact O-N 3.13Å
2T35.9Very low69.1Low127 Ų12793.8 Ų93.878%0.77947%0.472SS*.  trans-67.9102.3169.828.40000106.9F4T2-F4 PolarHBondContact O-N 3.13Å; T2-F4 VanDerWaalsContact O-N 3.14Å
3S38.6Very low71.2Confident97 Ų9786.5 Ų86.568%0.67844%0.436SS*.  trans-63.5118.4169.867.90000106.4M1 Q5M1-S3 PolarHBondContact O-N 3.14Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-Q5 PolarHBondContact O-N 3.08Å
4F40.8Very low72.8Confident203 Ų20383 Ų8389%0.8942%0.417SS*.  trans-63.388.3164.2-75.5-88.7000106.5T2 E6T2-F4 PolarHBondContact O-N 3.13Å; T2-F4 VanDerWaalsContact O-N 3.14Å; F4-E6 PolarHBondContact O-N 2.78Å; F4-E6 VanDerWaalsContact O-N 3.08Å
5Q54.4Low74.1Confident156 Ų15679.5 Ų79.573%0.72940%0.397SS*.  trans-67.7108.4172.7-154168.31.500104.4S3 D7S3-Q5 PolarHBondContact O-N 3.08Å; Q5-D7 PolarHBondContact O-N 2.78Å
6E67.3Low74.6Confident72 Ų7281.4 Ų81.434%0.33640%0.404SS..  trans-54.7124.7175.8-166.8172.5-153.500107F4 R8 K33 R51F4-E6 PolarHBondContact O-N 2.78Å; F4-E6 VanDerWaalsContact O-N 3.08Å; E6-R8 PolarHBondContact O-N 3.43Å; E6-K33 HydrophobicContact CG-CD 4.44Å; E6-R51 IonicContact OE1-CZ 2.91Å; E6-R51 IonicContact OE1-NH1 3.21Å; E6-R51 IonicContact OE1-NH2 2.9Å; E6-R51 PolarHBondContact OE1-NH2 2.84Å; E6-R51 IonicContact OE2-CZ 2.76Å; E6-R51 IonicContact OE2-NH1 3.72Å; E6-R51 PolarHBondContact OE2-NH1 2.9Å; E6-R51 IonicContact OE2-NH2 3.43Å; E6-R51 PolarHBondContact OE2-NH2 2.82Å
7D82.8Confident75.1Confident83 Ų8377.5 Ų77.544%0.44439%0.385SS..  trans-54.7112.6177.3-80.2-29.2000106.9Q5 P32Q5-D7 PolarHBondContact O-N 2.78Å; D7-P32 HydrophobicContact CB-CG 4.12Å; D7-P32 VanDerWaalsContact O-CD 3.24Å; D7-P32 WeakPolarHBondContact O-CD 3.37Å
8R92.6Very high74.8Confident89 Ų8976.7 Ų76.734%0.33639%0.386SS..  trans-130.6128.1-179.7-178.9-166.472.61683107.1E6 F29 F30 Y31 D82E6-R8 PolarHBondContact O-N 3.43Å; R8-F29 HydrophobicContact CG-CB 4.18Å; R8-F29 HydrophobicContact CG-CD1 4.19Å; R8-F29 VanDerWaalsContact CZ-CE1 3.41Å; R8-F30 WeakPolarHBondContact CA-O 3.25Å; R8-Y31 HydrophobicContact CB-CD1 4.09Å; R8-Y31 HydrophobicContact CB-CE1 4Å; R8-Y31 HydrophobicContact CG-CD1 3.91Å; R8-Y31 HydrophobicContact CG-CE1 3.54Å; R8-D82 IonicContact NH2-OD2 3.55Å
9Y94.3Very high74.9Confident11 Ų1179.9 Ų79.94%0.04341%0.41CS..EExtended strand (participates in β ladder)trans-104.6128.8176.2-59.1-54.9000109.8F29 F30 P32 L59 F84 T85 K88 L89Y9-F29 CarbonylContact O-C 2.98Å; Y9-F29 VanDerWaalsContact O-CA 3.31Å; Y9-F29 WeakPolarHBondContact O-CA 3.47Å; Y9-F30 HydrophobicContact CD2-CD1 4.26Å; Y9-F30 PolarHBondContact N-O 2.79Å; Y9-F30 PolarHBondContact O-N 2.93Å; Y9-P32 HydrophobicContact CD2-CG 4.25Å; Y9-P32 HydrophobicContact CE2-CG 3.86Å; Y9-L59 HydrophobicContact CD2-CD1 3.39Å; Y9-L59 HydrophobicContact CE2-CD1 3.31Å; Y9-L59 HydrophobicContact CE2-CD2 4.1Å; Y9-L59 HydrophobicContact CE2-CG 4.37Å; Y9-L59 HydrophobicContact CG-CD1 4.43Å; Y9-F84 HydrophobicContact CD1-CE1 4.24Å; Y9-F84 AromaticContact CE1-CE1 3.97Å; Y9-F84 HydrophobicContact CE1-CE1 3.97Å; Y9-T85 WeakPolarHBondContact CA-OG1 3.17Å; Y9-T85 HydrophobicContact CD1-CG2 3.96Å; Y9-T85 HydrophobicContact CG-CG2 4.33Å; Y9-K88 HydrophobicContact CE1-CB 4.03Å; Y9-K88 HydrophobicContact CE1-CG 3.74Å; Y9-L89 HydrophobicContact CD1-CD1 3.84Å; Y9-L89 HydrophobicContact CD1-CG 4.15Å; Y9-L89 HydrophobicContact CD2-CD1 4.25Å; Y9-L89 HydrophobicContact CE1-CD1 4.29Å; Y9-L89 HydrophobicContact CE1-CD2 4.3Å; Y9-L89 HydrophobicContact CE1-CG 4.19Å; Y9-L89 HydrophobicContact CG-CD1 3.8Å
10A95.7Very high75.1Confident0 Ų078.1 Ų78.10%041%0.408CS..EExtended strand (participates in β ladder)trans-110.6135.2-179.700000109.8L28 F29 G81 D82 T85A10-L28 CarbonylContact C-O 3.56Å; A10-L28 WeakPolarHBondContact CA-O 3.37Å; A10-F29 HydrophobicContact CB-CD1 3.69Å; A10-F29 HydrophobicContact CB-CE1 3.68Å; A10-G81 WeakPolarHBondContact O-CA 3.32Å; A10-G81 PolarHBondContact O-N 2.77Å; A10-D82 WeakPolarHBondContact CB-OD2 3.21Å; A10-T85 PolarHBondContact N-OG1 3.14Å; A10-T85 WeakPolarHBondContact O-CG2 3.36Å
11F96.3Very high75.2Confident0 Ų078.7 Ų78.70%042%0.418CS..EExtended strand (participates in β ladder)trans-130.9138.9176.6-69.4-92.5000110.4T13 Q27 L28 L62 L64 L77 D79 Y80 T85 L89F11-T13 HydrophobicContact CB-CG2 4.13Å; F11-Q27 CarbonylContact O-C 3.57Å; F11-Q27 WeakPolarHBondContact O-CA 3.47Å; F11-L28 PolarHBondContact N-O 2.99Å; F11-L28 PolarHBondContact O-N 2.95Å; F11-L62 HydrophobicContact CD2-CD2 4.28Å; F11-L62 HydrophobicContact CE2-CB 3.7Å; F11-L62 HydrophobicContact CE2-CD1 4.1Å; F11-L62 HydrophobicContact CE2-CD2 4.1Å; F11-L62 HydrophobicContact CE2-CG 4.19Å; F11-L62 HydrophobicContact CZ-CB 3.64Å; F11-L62 VanDerWaalsContact CZ-O 3.29Å; F11-L62 WeakPolarHBondContact CZ-O 3.4Å; F11-L64 HydrophobicContact CD1-CD2 4.18Å; F11-L64 HydrophobicContact CE1-CD2 4.35Å; F11-L77 HydrophobicContact CB-CD2 3.96Å; F11-L77 HydrophobicContact CD1-CB 4.33Å; F11-L77 HydrophobicContact CD1-CD1 4.25Å; F11-L77 HydrophobicContact CD1-CD2 4.44Å; F11-L77 HydrophobicContact CE1-CD1 4.4Å; F11-L77 HydrophobicContact CG-CD2 4.2Å; F11-D79 CarbonylContact C-O 3.55Å; F11-D79 WeakPolarHBondContact CA-O 3.37Å; F11-Y80 HydrophobicContact CD1-CD1 4.13Å; F11-Y80 HydrophobicContact CD1-CE1 4.41Å; F11-Y80 AromaticContact CE1-CD1 3.68Å; F11-Y80 HydrophobicContact CE1-CD1 3.68Å; F11-Y80 AromaticContact CE1-CE1 3.61Å; F11-Y80 HydrophobicContact CE1-CE1 3.61Å; F11-Y80 HydrophobicContact CZ-CD1 4.3Å; F11-Y80 HydrophobicContact CZ-CE1 4.19Å; F11-T85 HydrophobicContact CE2-CG2 4.03Å; F11-T85 HydrophobicContact CZ-CG2 3.99Å; F11-L89 HydrophobicContact CE2-CD1 4.09Å; F11-L89 HydrophobicContact CZ-CD1 3.59Å
12L95.8Very high77.6Confident41 Ų4171.4 Ų71.422%0.21538%0.384CS..EExtended strand (participates in β ladder)trans-79129.2161.8-177.264.3000108.1L42 I78 D79L12-L42 HydrophobicContact CD1-CD1 3.08Å; L12-I78 HydrophobicContact CB-CG1 4.1Å; L12-I78 HydrophobicContact CD2-CD1 3.55Å; L12-I78 HydrophobicContact CD2-CG1 3.95Å; L12-I78 HydrophobicContact CG-CD1 3.65Å; L12-I78 HydrophobicContact CG-CG1 3.68Å; L12-I78 VanDerWaalsContact O-CG1 3.24Å; L12-I78 WeakPolarHBondContact O-CG1 3.46Å; L12-I78 PolarHBondContact O-N 3.26Å; L12-D79 HydrophobicContact CB-CB 3.92Å; L12-D79 HydrophobicContact CD2-CB 4.1Å; L12-D79 PolarHBondContact N-O 2.8Å; L12-D79 PolarHBondContact O-N 2.88Å
13T96.1Very high79.9Confident0 Ų070.2 Ų70.20%037%0.372CS..EExtended strand (participates in β ladder)trans-129.1149.5-175.168.50000112F11 R25 Y26 L28 L75 K76 L77F11-T13 HydrophobicContact CB-CG2 4.13Å; T13-R25 VanDerWaalsContact O-CA 3.26Å; T13-R25 WeakPolarHBondContact O-CA 3.3Å; T13-Y26 PolarHBondContact N-O 2.88Å; T13-Y26 PolarHBondContact O-N 2.69Å; T13-Y26 PolarHBondContact OG1-O 2.95Å; T13-L28 HydrophobicContact CG2-CB 3.63Å; T13-L28 HydrophobicContact CG2-CD2 4.28Å; T13-L75 HydrophobicContact CG2-CB 4.37Å; T13-K76 CarbonylContact C-O 3.49Å; T13-K76 WeakPolarHBondContact CA-O 3.08Å; T13-L77 HydrophobicContact CG2-CD2 3.49Å; T13-L77 VanDerWaalsContact CG2-CD2 3.49Å
14E93.9Very high82.4Confident37 Ų3768.7 Ų68.717%0.17335%0.352CS..EExtended strand (participates in β ladder)trans-115.2134.5171.5-81.5179.6165.700110.6L23 R24 R25 K76 I78E14-L23 HydrophobicContact CB-CD1 4.2Å; E14-L23 HydrophobicContact CG-CD2 4.22Å; E14-L23 HydrophobicContact CG-CG 4.39Å; E14-R24 WeakPolarHBondContact CA-O 3.33Å; E14-R25 HydrophobicContact CG-CG 3.82Å; E14-R25 IonicContact OE1-CZ 3.55Å; E14-R25 VanDerWaalsContact OE1-CZ 3.27Å; E14-R25 IonicContact OE1-NE 3.77Å; E14-R25 PolarHBondContact OE1-NE 3.11Å; E14-R25 IonicContact OE1-NH2 3.12Å; E14-R25 PolarHBondContact OE1-NH2 2.89Å; E14-K76 PolarHBondContact N-O 2.86Å; E14-K76 PolarHBondContact O-N 3.21Å; E14-I78 HydrophobicContact CB-CG2 4.18Å; E14-I78 HydrophobicContact CG-CD1 3.65Å; E14-I78 HydrophobicContact CG-CG1 4.27Å; E14-I78 HydrophobicContact CG-CG2 4.17Å
15W91.5Very high85Confident30 Ų3065.3 Ų65.311%0.11433%0.333CS..EExtended strand (participates in β ladder)trans-130.6127.8175.1177.250.3000109.5D17 R24 Y26 R73 L75W15-D17 HydrophobicContact CE3-CB 4.05Å; W15-D17 HydrophobicContact CH2-CB 3.8Å; W15-D17 HydrophobicContact CZ2-CB 4.32Å; W15-D17 HydrophobicContact CZ3-CB 3.66Å; W15-R24 HydrophobicContact CE3-CB 4.26Å; W15-R24 HydrophobicContact CE3-CG 4.39Å; W15-R24 PolarHBondContact N-O 3.46Å; W15-R24 PolarHBondContact O-N 2.92Å; W15-Y26 HydrophobicContact CB-CD2 4.36Å; W15-Y26 HydrophobicContact CB-CE2 4.05Å; W15-Y26 HydrophobicContact CD2-CE2 4.39Å; W15-Y26 AromaticContact CE3-CE2 3.74Å; W15-Y26 HydrophobicContact CE3-CE2 3.74Å; W15-R73 HydrophobicContact CD2-CB 4.22Å; W15-R73 HydrophobicContact CD2-CG 4.14Å; W15-R73 HydrophobicContact CG-CB 4.24Å; W15-R73 HydrophobicContact CH2-CG 4.27Å; W15-R73 HydrophobicContact CZ2-CB 4.43Å; W15-R73 HydrophobicContact CZ2-CG 3.68Å; W15-L75 HydrophobicContact CB-CD2 3.65Å; W15-L75 HydrophobicContact CG-CD2 4.03Å
16H83.3Confident87Confident110 Ų11057.9 Ų57.951%0.50930%0.298SS..EExtended strand (participates in β ladder)trans-83.3113.7168.9-175.8-99.9000108.9P18H16-P18 VanDerWaalsContact O-CD 3.23Å; H16-P18 WeakPolarHBondContact O-CD 3.48Å
17D81.6Confident88.4Confident15 Ų1556.6 Ų56.68%0.0829%0.292CS..EExtended strand (participates in β ladder)trans-80.1105.5175.4-177.6-17.7000108.7W15 T19 A20 S21 L22 R24W15-D17 HydrophobicContact CE3-CB 4.05Å; W15-D17 HydrophobicContact CH2-CB 3.8Å; W15-D17 HydrophobicContact CZ2-CB 4.32Å; W15-D17 HydrophobicContact CZ3-CB 3.66Å; D17-T19 VanDerWaalsContact C-N 3.26Å; D17-T19 PolarHBondContact O-N 3.44Å; D17-T19 PolarHBondContact OD1-N 3.33Å; D17-T19 VanDerWaalsContact OD1-N 3.17Å; D17-A20 HydrophobicContact CB-CB 4.27Å; D17-A20 PolarHBondContact O-N 3.32Å; D17-A20 PolarHBondContact OD1-N 3.37Å; D17-S21 WeakPolarHBondContact O-CA 3.24Å; D17-S21 PolarHBondContact O-N 3.25Å; D17-L22 WeakPolarHBondContact CB-O 3.43Å; D17-L22 PolarHBondContact N-O 3.11Å; D17-L22 PolarHBondContact O-N 3.32Å; D17-R24 HydrophobicContact CB-CG 4.41Å; D17-R24 IonicContact OD2-CZ 2.84Å; D17-R24 VanDerWaalsContact OD2-CZ 3.28Å; D17-R24 IonicContact OD2-NE 2.77Å; D17-R24 PolarHBondContact OD2-NE 3.02Å; D17-R24 IonicContact OD2-NH2 3.85Å; D17-R24 PolarHBondContact OD2-NH2 3.32Å
18P70.8Confident89.1Confident63 Ų6352.6 Ų52.641%0.40927%0.271SS..THydrogen-bonded Turntrans-68.3-26.3-173.828.7-34.6000112.4H16H16-P18 VanDerWaalsContact O-CD 3.23Å; H16-P18 WeakPolarHBondContact O-CD 3.48Å
19T76.4Confident89.3Confident138 Ų13849 Ų4985%0.84726%0.258SS*.THydrogen-bonded Turntrans-76.2-37.2-179.9-51.50000111.6D17D17-T19 VanDerWaalsContact C-N 3.26Å; D17-T19 PolarHBondContact O-N 3.44Å; D17-T19 PolarHBondContact OD1-N 3.33Å; D17-T19 VanDerWaalsContact OD1-N 3.17Å
20A79.5Confident89.4Confident44 Ų4448.5 Ų48.536%0.36426%0.256SS..THydrogen-bonded Turntrans-95-9.8-179.300000113.6D17 L22D17-A20 HydrophobicContact CB-CB 4.27Å; D17-A20 PolarHBondContact O-N 3.32Å; D17-A20 PolarHBondContact OD1-N 3.37Å; A20-L22 HydrophobicContact CB-CB 4.23Å; A20-L22 HydrophobicContact CB-CD1 4.16Å; A20-L22 HydrophobicContact CB-CG 4.29Å; A20-L22 WeakPolarHBondContact O-CG 3.26Å; A20-L22 PolarHBondContact O-N 2.61Å
21S76.8Confident89.4Confident90 Ų9049.4 Ų49.463%0.62926%0.259SS*.THydrogen-bonded Turntrans49.642.3-169.3-58.20000112.4D17D17-S21 WeakPolarHBondContact O-CA 3.24Å; D17-S21 PolarHBondContact O-N 3.25Å
22L85.3Confident89.1Confident93 Ų9351.1 Ų51.149%0.48727%0.271SS..EExtended strand (participates in β ladder)trans-126.6137.7-176.4-75.1173.9000111.3D17 A20 R24D17-L22 WeakPolarHBondContact CB-O 3.43Å; D17-L22 PolarHBondContact N-O 3.11Å; D17-L22 PolarHBondContact O-N 3.32Å; A20-L22 HydrophobicContact CB-CB 4.23Å; A20-L22 HydrophobicContact CB-CD1 4.16Å; A20-L22 HydrophobicContact CB-CG 4.29Å; A20-L22 WeakPolarHBondContact O-CG 3.26Å; A20-L22 PolarHBondContact O-N 2.61Å; L22-R24 PolarHBondContact O-N 3.35Å
23L84.7Confident88.9Confident102 Ų10257.4 Ų57.453%0.53430%0.296SS..EExtended strand (participates in β ladder)trans-77.1121.1167.8-16473.1000109.5E14E14-L23 HydrophobicContact CB-CD1 4.2Å; E14-L23 HydrophobicContact CG-CD2 4.22Å; E14-L23 HydrophobicContact CG-CG 4.39Å
24R91.3Very high88.6Confident66 Ų6660.1 Ų60.125%0.24931%0.311CS..EExtended strand (participates in β ladder)trans-108.3146.1175.2-62.2-172.4-174.4-105.51.9110.1E14 W15 D17 L22 Y26E14-R24 WeakPolarHBondContact CA-O 3.33Å; W15-R24 HydrophobicContact CE3-CB 4.26Å; W15-R24 HydrophobicContact CE3-CG 4.39Å; W15-R24 PolarHBondContact N-O 3.46Å; W15-R24 PolarHBondContact O-N 2.92Å; D17-R24 HydrophobicContact CB-CG 4.41Å; D17-R24 IonicContact OD2-CZ 2.84Å; D17-R24 VanDerWaalsContact OD2-CZ 3.28Å; D17-R24 IonicContact OD2-NE 2.77Å; D17-R24 PolarHBondContact OD2-NE 3.02Å; D17-R24 IonicContact OD2-NH2 3.85Å; D17-R24 PolarHBondContact OD2-NH2 3.32Å; L22-R24 PolarHBondContact O-N 3.35Å; R24-Y26 HydrophobicContact CB-CE2 3.87Å; R24-Y26 WeakPolarHBondContact CD-OH 3.45Å
25R95Very high88.5Confident131 Ų13161.2 Ų61.249%0.49432%0.318SS..EExtended strand (participates in β ladder)trans-114.9128.1175.6-72.5-178.3177.4176-0.2110.6T13 E14 L42T13-R25 VanDerWaalsContact O-CA 3.26Å; T13-R25 WeakPolarHBondContact O-CA 3.3Å; E14-R25 HydrophobicContact CG-CG 3.82Å; E14-R25 IonicContact OE1-CZ 3.55Å; E14-R25 VanDerWaalsContact OE1-CZ 3.27Å; E14-R25 IonicContact OE1-NE 3.77Å; E14-R25 PolarHBondContact OE1-NE 3.11Å; E14-R25 IonicContact OE1-NH2 3.12Å; E14-R25 PolarHBondContact OE1-NH2 2.89Å; R25-L42 HydrophobicContact CB-CD1 4.29Å; R25-L42 PolarHBondContact O-N 2.98Å
26Y96.6Very high88.7Confident1 Ų159.9 Ų59.90%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-123.9149.4175.3-55.7-78000110.4T13 W15 R24 M39 F40 D41 F48 L75T13-Y26 PolarHBondContact N-O 2.88Å; T13-Y26 PolarHBondContact O-N 2.69Å; T13-Y26 PolarHBondContact OG1-O 2.95Å; W15-Y26 HydrophobicContact CB-CD2 4.36Å; W15-Y26 HydrophobicContact CB-CE2 4.05Å; W15-Y26 HydrophobicContact CD2-CE2 4.39Å; W15-Y26 AromaticContact CE3-CE2 3.74Å; W15-Y26 HydrophobicContact CE3-CE2 3.74Å; R24-Y26 HydrophobicContact CB-CE2 3.87Å; R24-Y26 WeakPolarHBondContact CD-OH 3.45Å; Y26-M39 HydrophobicContact CD1-CE 4.07Å; Y26-M39 HydrophobicContact CD2-CE 3.47Å; Y26-M39 VanDerWaalsContact CD2-CE 3.47Å; Y26-M39 HydrophobicContact CE2-CE 3.96Å; Y26-M39 HydrophobicContact CG-CE 3.52Å; Y26-F40 CarbonylContact C-O 3.58Å; Y26-F40 WeakPolarHBondContact CA-O 3.44Å; Y26-D41 HydrophobicContact CD1-CB 4.14Å; Y26-D41 HydrophobicContact CE1-CB 4.08Å; Y26-F48 HydrophobicContact CD1-CB 4.14Å; Y26-F48 HydrophobicContact CD1-CD1 4.39Å; Y26-F48 HydrophobicContact CD1-CG 4.1Å; Y26-F48 HydrophobicContact CE1-CB 4.03Å; Y26-F48 AromaticContact CE1-CD1 4Å; Y26-F48 HydrophobicContact CE1-CD1 4Å; Y26-F48 AromaticContact CE1-CD2 3.6Å; Y26-F48 HydrophobicContact CE1-CD2 3.6Å; Y26-F48 HydrophobicContact CE1-CE1 4.39Å; Y26-F48 HydrophobicContact CE1-CE2 4.03Å; Y26-F48 AromaticContact CE1-CG 3.59Å; Y26-F48 HydrophobicContact CE1-CG 3.59Å; Y26-F48 HydrophobicContact CE1-CZ 4.4Å; Y26-F48 WeakPolarHBondContact OH-CE2 3.45Å; Y26-L75 HydrophobicContact CD2-CD2 4.3Å
27Q96.8Very high89.3Confident44 Ų4454.6 Ų54.621%0.20629%0.289CS..EExtended strand (participates in β ladder)trans-89.5114.3159.2-164.6169.226.700107.9F11 F29 M39 F40 L42 G81F11-Q27 CarbonylContact O-C 3.57Å; F11-Q27 WeakPolarHBondContact O-CA 3.47Å; Q27-F29 HydrophobicContact CB-CE2 4.28Å; Q27-F29 HydrophobicContact CB-CZ 4.33Å; Q27-F29 HydrophobicContact CG-CE1 4.04Å; Q27-F29 HydrophobicContact CG-CE2 3.99Å; Q27-F29 HydrophobicContact CG-CZ 3.63Å; Q27-M39 WeakPolarHBondContact O-CA 3.42Å; Q27-F40 HydrophobicContact CB-CB 4.3Å; Q27-F40 PolarHBondContact N-O 2.93Å; Q27-F40 PolarHBondContact O-N 3.3Å; Q27-L42 HydrophobicContact CB-CD2 4.21Å; Q27-L42 HydrophobicContact CB-CG 4.42Å; Q27-G81 PolarHBondContact NE2-O 2.9Å; Q27-G81 VanDerWaalsContact NE2-O 3.14Å
28L97.2Very high90.1Very high0 Ų056.1 Ų56.10%030%0.295CS..EExtended strand (participates in β ladder)trans-90.7129.3174.1176.167.4000108.5A10 F11 T13 V37 M39 L62 V68 V70 L75 L77A10-L28 CarbonylContact C-O 3.56Å; A10-L28 WeakPolarHBondContact CA-O 3.37Å; F11-L28 PolarHBondContact N-O 2.99Å; F11-L28 PolarHBondContact O-N 2.95Å; T13-L28 HydrophobicContact CG2-CB 3.63Å; T13-L28 HydrophobicContact CG2-CD2 4.28Å; L28-V37 HydrophobicContact CD1-CB 4.21Å; L28-V37 HydrophobicContact CD1-CG1 4.45Å; L28-M39 HydrophobicContact CD1-CG 3.74Å; L28-L62 HydrophobicContact CD2-CD2 4.46Å; L28-V68 HydrophobicContact CD2-CG2 4.14Å; L28-V70 HydrophobicContact CD1-CG2 4.31Å; L28-L75 HydrophobicContact CD1-CD1 4.34Å; L28-L75 HydrophobicContact CD2-CD1 4.29Å; L28-L77 HydrophobicContact CD2-CD2 4.1Å
29F96.5Very high91.3Very high13 Ų1353.2 Ų53.26%0.05728%0.276CS..EExtended strand (participates in β ladder)trans-110.8131.9169.6-57-80.6000109.3R8 Y9 A10 Q27 Y31 V37 E38 F40R8-F29 HydrophobicContact CG-CB 4.18Å; R8-F29 HydrophobicContact CG-CD1 4.19Å; R8-F29 VanDerWaalsContact CZ-CE1 3.41Å; Y9-F29 CarbonylContact O-C 2.98Å; Y9-F29 VanDerWaalsContact O-CA 3.31Å; Y9-F29 WeakPolarHBondContact O-CA 3.47Å; A10-F29 HydrophobicContact CB-CD1 3.69Å; A10-F29 HydrophobicContact CB-CE1 3.68Å; Q27-F29 HydrophobicContact CB-CE2 4.28Å; Q27-F29 HydrophobicContact CB-CZ 4.33Å; Q27-F29 HydrophobicContact CG-CE1 4.04Å; Q27-F29 HydrophobicContact CG-CE2 3.99Å; Q27-F29 HydrophobicContact CG-CZ 3.63Å; F29-Y31 HydrophobicContact CB-CE2 3.97Å; F29-V37 CarbonylContact O-C 3.57Å; F29-V37 VanDerWaalsContact O-CA 3.26Å; F29-V37 WeakPolarHBondContact O-CA 3.36Å; F29-E38 HydrophobicContact CB-CB 4.2Å; F29-E38 HydrophobicContact CD2-CB 4.34Å; F29-E38 HydrophobicContact CD2-CG 4.4Å; F29-E38 PolarHBondContact N-O 3.01Å; F29-E38 PolarHBondContact O-N 2.85Å; F29-F40 HydrophobicContact CE2-CB 4.21Å
30F96Very high92.2Very high1 Ų149.7 Ų49.70%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-117.1134.5173.4177.5-106.4000110.5R8 Y9 P32 V37 L57 L59 L62R8-F30 WeakPolarHBondContact CA-O 3.25Å; Y9-F30 HydrophobicContact CD2-CD1 4.26Å; Y9-F30 PolarHBondContact N-O 2.79Å; Y9-F30 PolarHBondContact O-N 2.93Å; F30-P32 HydrophobicContact CD1-CB 4.41Å; F30-P32 HydrophobicContact CE1-CB 3.82Å; F30-P32 WeakPolarHBondContact O-CD 3.35Å; F30-V37 HydrophobicContact CD2-CG1 3.95Å; F30-L57 HydrophobicContact CD2-CD2 3.98Å; F30-L57 HydrophobicContact CD2-CG 4.34Å; F30-L57 HydrophobicContact CE2-CD2 4.45Å; F30-L57 HydrophobicContact CE2-CG 4.35Å; F30-L57 WeakPolarHBondContact CE2-O 3.41Å; F30-L59 HydrophobicContact CD1-CD1 4.42Å; F30-L59 HydrophobicContact CE1-CB 4.18Å; F30-L59 HydrophobicContact CE1-CD1 4.3Å; F30-L62 HydrophobicContact CB-CD1 3.51Å; F30-L62 HydrophobicContact CD1-CD1 3.24Å; F30-L62 HydrophobicContact CD2-CD1 4.19Å; F30-L62 HydrophobicContact CE1-CD1 3.93Å; F30-L62 HydrophobicContact CG-CD1 3.39Å
31Y95.1Very high93Very high18 Ų1847.8 Ų47.87%0.07123%0.233CC..EExtended strand (participates in β ladder)trans-114.294-179.1-58.6-90.9000108.9R8 F29 K33 D34 N35 S36 E38 R51R8-Y31 HydrophobicContact CB-CD1 4.09Å; R8-Y31 HydrophobicContact CB-CE1 4Å; R8-Y31 HydrophobicContact CG-CD1 3.91Å; R8-Y31 HydrophobicContact CG-CE1 3.54Å; F29-Y31 HydrophobicContact CB-CE2 3.97Å; Y31-K33 PolarHBondContact O-N 2.92Å; Y31-K33 VanDerWaalsContact O-N 3.11Å; Y31-D34 WeakPolarHBondContact CB-OD1 3.46Å; Y31-D34 PolarHBondContact O-N 2.77Å; Y31-N35 WeakPolarHBondContact O-CA 3.31Å; Y31-N35 PolarHBondContact O-N 2.65Å; Y31-S36 WeakPolarHBondContact CB-OG 3.46Å; Y31-S36 WeakPolarHBondContact CD2-O 3.49Å; Y31-S36 PolarHBondContact N-O 3.41Å; Y31-S36 PolarHBondContact O-N 2.89Å; Y31-E38 HydrophobicContact CE2-CB 3.98Å; Y31-E38 PolarHBondContact OH-OE2 2.84Å; Y31-E38 VanDerWaalsContact OH-OE2 3.11Å; Y31-R51 HydrophobicContact CD2-CG 4.12Å; Y31-R51 HydrophobicContact CE2-CG 4.03Å
32P91Very high93.7Very high37 Ų3746.7 Ų46.724%0.2422%0.22CC..THydrogen-bonded Turntrans-59.9-22.2-176.821.8-36.9000114.7D7 Y9 F30 D34 N35D7-P32 HydrophobicContact CB-CG 4.12Å; D7-P32 VanDerWaalsContact O-CD 3.24Å; D7-P32 WeakPolarHBondContact O-CD 3.37Å; Y9-P32 HydrophobicContact CD2-CG 4.25Å; Y9-P32 HydrophobicContact CE2-CG 3.86Å; F30-P32 HydrophobicContact CD1-CB 4.41Å; F30-P32 HydrophobicContact CE1-CB 3.82Å; F30-P32 WeakPolarHBondContact O-CD 3.35Å; P32-D34 VanDerWaalsContact C-N 3.33Å; P32-D34 PolarHBondContact O-N 3.37Å; P32-N35 PolarHBondContact O-OD1 3.37Å
33K90.9Very high93.9Very high173 Ų17349.5 Ų49.575%0.75223%0.228SC*.THydrogen-bonded Turntrans-67.1-34.2-177.2-174.9-179.8175.6-172.80112.9E6 Y31E6-K33 HydrophobicContact CG-CD 4.44Å; Y31-K33 PolarHBondContact O-N 2.92Å; Y31-K33 VanDerWaalsContact O-N 3.11Å
34D91.4Very high94.3Very high56 Ų5650.6 Ų50.630%0.29923%0.226SC..THydrogen-bonded Turntrans-131.711.8-175.367.8-9.6000113.5Y31 P32 S36 R51Y31-D34 WeakPolarHBondContact CB-OD1 3.46Å; Y31-D34 PolarHBondContact O-N 2.77Å; P32-D34 VanDerWaalsContact C-N 3.33Å; P32-D34 PolarHBondContact O-N 3.37Å; D34-S36 VanDerWaalsContact C-N 3.27Å; D34-S36 VanDerWaalsContact CG-OG 3.28Å; D34-S36 PolarHBondContact O-N 3.47Å; D34-S36 WeakPolarHBondContact OD1-CB 3.26Å; D34-S36 PolarHBondContact OD1-N 3.42Å; D34-S36 PolarHBondContact OD1-OG 3.35Å; D34-S36 PolarHBondContact OD2-OG 2.96Å; D34-R51 IonicContact OD1-CZ 3.9Å; D34-R51 IonicContact OD1-NE 2.76Å; D34-R51 IonicContact OD1-NH2 3.14Å; D34-R51 PolarHBondContact OD1-NH2 2.75Å; D34-R51 VanDerWaalsContact OD1-NH2 3.14Å; D34-R51 IonicContact OD2-CZ 2.61Å; D34-R51 IonicContact OD2-NE 3.61Å; D34-R51 PolarHBondContact OD2-NE 3.3Å; D34-R51 IonicContact OD2-NH2 2.78Å; D34-R51 PolarHBondContact OD2-NH2 3.19Å
35N90.9Very high94.3Very high60 Ų6055 Ų5532%0.32125%0.249SC..THydrogen-bonded Turntrans46.450.9-175.9-67.3-17.8000111.6Y31 P32 Y54Y31-N35 WeakPolarHBondContact O-CA 3.31Å; Y31-N35 PolarHBondContact O-N 2.65Å; P32-N35 PolarHBondContact O-OD1 3.37Å; N35-Y54 CarbonylContact O-C 3.56Å; N35-Y54 PolarHBondContact O-N 2.87Å; N35-Y54 VanDerWaalsContact O-O 3.13Å
36S95.3Very high94.3Very high2 Ų255.7 Ų55.71%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-109.4154175.165.80000112.1Y31 D34 R51 T52Y31-S36 WeakPolarHBondContact CB-OG 3.46Å; Y31-S36 WeakPolarHBondContact CD2-O 3.49Å; Y31-S36 PolarHBondContact N-O 3.41Å; Y31-S36 PolarHBondContact O-N 2.89Å; D34-S36 VanDerWaalsContact C-N 3.27Å; D34-S36 VanDerWaalsContact CG-OG 3.28Å; D34-S36 PolarHBondContact O-N 3.47Å; D34-S36 WeakPolarHBondContact OD1-CB 3.26Å; D34-S36 PolarHBondContact OD1-N 3.42Å; D34-S36 PolarHBondContact OD1-OG 3.35Å; D34-S36 PolarHBondContact OD2-OG 2.96Å; S36-R51 WeakPolarHBondContact OG-CG 3.43Å; S36-R51 PolarHBondContact OG-NE 2.85Å; S36-T52 CarbonylContact C-O 3.57Å; S36-T52 VanDerWaalsContact CA-O 3.26Å; S36-T52 WeakPolarHBondContact CA-O 3.26Å; S36-T52 WeakPolarHBondContact CB-O 3.36Å
37V96.6Very high94.2Very high0 Ų059.7 Ų59.70%027%0.272CS..EExtended strand (participates in β ladder)trans-125.8148.1179-64.70000111L28 F29 F30 L49 R51 T52 Y54 L57 V70 F71L28-V37 HydrophobicContact CD1-CB 4.21Å; L28-V37 HydrophobicContact CD1-CG1 4.45Å; F29-V37 CarbonylContact O-C 3.57Å; F29-V37 VanDerWaalsContact O-CA 3.26Å; F29-V37 WeakPolarHBondContact O-CA 3.36Å; F30-V37 HydrophobicContact CD2-CG1 3.95Å; V37-L49 HydrophobicContact CG2-CD2 4.04Å; V37-R51 VanDerWaalsContact O-CA 3.3Å; V37-R51 WeakPolarHBondContact O-CA 3.32Å; V37-T52 PolarHBondContact N-O 3.07Å; V37-T52 PolarHBondContact O-N 3.36Å; V37-Y54 HydrophobicContact CG2-CG 4.18Å; V37-L57 HydrophobicContact CG1-CD2 3.62Å; V37-V70 HydrophobicContact CG2-CG1 3.94Å; V37-F71 HydrophobicContact CG2-CE2 4.22Å
38E96.9Very high94.1Very high47 Ų4760.9 Ų60.922%0.2228%0.276CS..EExtended strand (participates in β ladder)trans-137144173.7-176.9-173.1132.500108.5F29 Y31 L49 R51F29-E38 HydrophobicContact CB-CB 4.2Å; F29-E38 HydrophobicContact CD2-CB 4.34Å; F29-E38 HydrophobicContact CD2-CG 4.4Å; F29-E38 PolarHBondContact N-O 3.01Å; F29-E38 PolarHBondContact O-N 2.85Å; Y31-E38 HydrophobicContact CE2-CB 3.98Å; Y31-E38 PolarHBondContact OH-OE2 2.84Å; Y31-E38 VanDerWaalsContact OH-OE2 3.11Å; E38-L49 VanDerWaalsContact CG-O 3.25Å; E38-L49 WeakPolarHBondContact CG-O 3.05Å; E38-R51 HydrophobicContact CB-CB 4.38Å
39M97Very high94Very high2 Ų262.5 Ų62.51%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-129.3135.9178.4-62170.962.300111.4Y26 Q27 L28 F48 L49 V70 L75Y26-M39 HydrophobicContact CD1-CE 4.07Å; Y26-M39 HydrophobicContact CD2-CE 3.47Å; Y26-M39 VanDerWaalsContact CD2-CE 3.47Å; Y26-M39 HydrophobicContact CE2-CE 3.96Å; Y26-M39 HydrophobicContact CG-CE 3.52Å; Q27-M39 WeakPolarHBondContact O-CA 3.42Å; L28-M39 HydrophobicContact CD1-CG 3.74Å; M39-F48 HydrophobicContact CB-CB 4.28Å; M39-F48 HydrophobicContact CB-CD1 4.15Å; M39-F48 HydrophobicContact CE-CD1 3.97Å; M39-F48 HydrophobicContact CE-CE1 4.21Å; M39-F48 WeakPolarHBondContact O-CA 3.5Å; M39-F48 WeakPolarHBondContact O-CB 3.44Å; M39-F48 PolarHBondContact O-N 3.47Å; M39-F48 HydrophobicContact SD-CD1 4.21Å; M39-L49 HydrophobicContact CB-CB 3.86Å; M39-L49 HydrophobicContact CG-CB 4.2Å; M39-L49 HydrophobicContact CG-CD2 4.18Å; M39-L49 PolarHBondContact N-O 3.48Å; M39-L49 PolarHBondContact O-N 3.49Å; M39-L49 HydrophobicContact SD-CB 4.4Å; M39-L49 HydrophobicContact SD-CD2 4.05Å; M39-V70 HydrophobicContact SD-CB 4.45Å; M39-V70 HydrophobicContact SD-CG1 3.92Å; M39-L75 HydrophobicContact CE-CD1 3.67Å; M39-L75 HydrophobicContact CE-CD2 3.93Å; M39-L75 HydrophobicContact CE-CG 4.45Å; M39-L75 HydrophobicContact SD-CD1 3.94Å
40F96.3Very high94Very high64 Ų6470.5 Ų70.528%0.28131%0.314SS..EExtended strand (participates in β ladder)trans-117128176.4-167.6-94.6000110.6Y26 Q27 F29 L42 Q45 R46 M47Y26-F40 CarbonylContact C-O 3.58Å; Y26-F40 WeakPolarHBondContact CA-O 3.44Å; Q27-F40 HydrophobicContact CB-CB 4.3Å; Q27-F40 PolarHBondContact N-O 2.93Å; Q27-F40 PolarHBondContact O-N 3.3Å; F29-F40 HydrophobicContact CE2-CB 4.21Å; F40-L42 HydrophobicContact CD1-CD2 4.31Å; F40-L42 PolarHBondContact O-N 2.91Å; F40-Q45 HydrophobicContact CE1-CB 4.34Å; F40-Q45 HydrophobicContact CZ-CB 4.3Å; F40-Q45 WeakPolarHBondContact CZ-O 3.32Å; F40-R46 VanDerWaalsContact CE2-C 3.5Å; F40-M47 HydrophobicContact CD2-CB 4.44Å
41D94.4Very high93.9Very high4 Ų474.6 Ų74.62%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-78.1115.2176.6-172.3-44.6000109.6Y26 K43 Y44 Q45 R46 F48Y26-D41 HydrophobicContact CD1-CB 4.14Å; Y26-D41 HydrophobicContact CE1-CB 4.08Å; D41-K43 WeakPolarHBondContact OD1-CB 3.46Å; D41-K43 PolarHBondContact OD1-N 3.14Å; D41-Y44 PolarHBondContact OD1-N 2.82Å; D41-Y44 WeakPolarHBondContact OD2-CD2 3.22Å; D41-Q45 WeakPolarHBondContact O-CA 3.26Å; D41-Q45 PolarHBondContact O-N 2.89Å; D41-R46 HydrophobicContact CB-CG 4.27Å; D41-R46 WeakPolarHBondContact CB-O 3.36Å; D41-R46 PolarHBondContact N-O 3.29Å; D41-R46 PolarHBondContact O-N 2.92Å; D41-F48 HydrophobicContact CB-CB 4.34Å
42L91.8Very high94Very high66 Ų6676.3 Ų76.335%0.34634%0.342SS..THydrogen-bonded Turntrans-76.7-25.2-176-69171.5000113L12 R25 Q27 F40L12-L42 HydrophobicContact CD1-CD1 3.08Å; R25-L42 HydrophobicContact CB-CD1 4.29Å; R25-L42 PolarHBondContact O-N 2.98Å; Q27-L42 HydrophobicContact CB-CD2 4.21Å; Q27-L42 HydrophobicContact CB-CG 4.42Å; F40-L42 HydrophobicContact CD1-CD2 4.31Å; F40-L42 PolarHBondContact O-N 2.91Å
43K91Very high94.1Very high152 Ų15281.4 Ų81.466%0.66136%0.361SS*.THydrogen-bonded Turntrans-76.1-44.8179.9-179.6177.6179.8179.70111D41D41-K43 WeakPolarHBondContact OD1-CB 3.46Å; D41-K43 PolarHBondContact OD1-N 3.14Å
44Y91.9Very high94.2Very high126 Ų12674.4 Ų74.449%0.49433%0.33SS..THydrogen-bonded Turntrans-98.50.3-177.5-63.3-72.9000113.6D41 R46D41-Y44 PolarHBondContact OD1-N 2.82Å; D41-Y44 WeakPolarHBondContact OD2-CD2 3.22Å; Y44-R46 VanDerWaalsContact C-N 3.26Å; Y44-R46 PolarHBondContact O-N 3.43Å
45Q92.3Very high93.9Very high157 Ų15778.5 Ų78.573%0.73435%0.347SS*.THydrogen-bonded Turntrans4946.6179.9-61.8-170.8-28.400113F40 D41F40-Q45 HydrophobicContact CE1-CB 4.34Å; F40-Q45 HydrophobicContact CZ-CB 4.3Å; F40-Q45 WeakPolarHBondContact CZ-O 3.32Å; D41-Q45 WeakPolarHBondContact O-CA 3.26Å; D41-Q45 PolarHBondContact O-N 2.89Å
46R94.3Very high93.5Very high147 Ų14781.1 Ų81.156%0.55536%0.361SS*.EExtended strand (participates in β ladder)trans-135.6151.9-179.868.2-178.4-178.1174.31.6110.7F40 D41 Y44 F48F40-R46 VanDerWaalsContact CE2-C 3.5Å; D41-R46 HydrophobicContact CB-CG 4.27Å; D41-R46 WeakPolarHBondContact CB-O 3.36Å; D41-R46 PolarHBondContact N-O 3.29Å; D41-R46 PolarHBondContact O-N 2.92Å; Y44-R46 VanDerWaalsContact C-N 3.26Å; Y44-R46 PolarHBondContact O-N 3.43Å; R46-F48 PolarHBondContact O-N 2.82Å
47M94.6Very high93.1Very high85 Ų8581.1 Ų81.142%0.41936%0.361SS..EExtended strand (participates in β ladder)trans-61.8127.8170.1170-111.7-68.600109.7F40 R50F40-M47 HydrophobicContact CD2-CB 4.44Å; M47-R50 HydrophobicContact CE-CG 3.45Å; M47-R50 VanDerWaalsContact CE-CG 3.45Å; M47-R50 VanDerWaalsContact CE-NE 3.31Å; M47-R50 HydrophobicContact CG-CG 4.31Å; M47-R50 HydrophobicContact SD-CB 4.27Å; M47-R50 HydrophobicContact SD-CG 3.17Å; M47-R50 WeakPolarHBondContact SD-CG 3.44Å
48F94.5Very high92.6Very high69 Ų6985.2 Ų85.230%0.30338%0.38SS..EExtended strand (participates in β ladder)trans-96.3-45.7178.3-179.4-98000110.8Y26 M39 D41 R46Y26-F48 HydrophobicContact CD1-CB 4.14Å; Y26-F48 HydrophobicContact CD1-CD1 4.39Å; Y26-F48 HydrophobicContact CD1-CG 4.1Å; Y26-F48 HydrophobicContact CE1-CB 4.03Å; Y26-F48 AromaticContact CE1-CD1 4Å; Y26-F48 HydrophobicContact CE1-CD1 4Å; Y26-F48 AromaticContact CE1-CD2 3.6Å; Y26-F48 HydrophobicContact CE1-CD2 3.6Å; Y26-F48 HydrophobicContact CE1-CE1 4.39Å; Y26-F48 HydrophobicContact CE1-CE2 4.03Å; Y26-F48 AromaticContact CE1-CG 3.59Å; Y26-F48 HydrophobicContact CE1-CG 3.59Å; Y26-F48 HydrophobicContact CE1-CZ 4.4Å; Y26-F48 WeakPolarHBondContact OH-CE2 3.45Å; M39-F48 HydrophobicContact CB-CB 4.28Å; M39-F48 HydrophobicContact CB-CD1 4.15Å; M39-F48 HydrophobicContact CE-CD1 3.97Å; M39-F48 HydrophobicContact CE-CE1 4.21Å; M39-F48 WeakPolarHBondContact O-CA 3.5Å; M39-F48 WeakPolarHBondContact O-CB 3.44Å; M39-F48 PolarHBondContact O-N 3.47Å; M39-F48 HydrophobicContact SD-CD1 4.21Å; D41-F48 HydrophobicContact CB-CB 4.34Å; R46-F48 PolarHBondContact O-N 2.82Å
49L95.2Very high92Very high33 Ų3386.3 Ų86.317%0.17339%0.387CS..EExtended strand (participates in β ladder)trans-131.4123.6177.5177.966.2000108.8V37 E38 M39 V70 F71V37-L49 HydrophobicContact CG2-CD2 4.04Å; E38-L49 VanDerWaalsContact CG-O 3.25Å; E38-L49 WeakPolarHBondContact CG-O 3.05Å; M39-L49 HydrophobicContact CB-CB 3.86Å; M39-L49 HydrophobicContact CG-CB 4.2Å; M39-L49 HydrophobicContact CG-CD2 4.18Å; M39-L49 PolarHBondContact N-O 3.48Å; M39-L49 PolarHBondContact O-N 3.49Å; M39-L49 HydrophobicContact SD-CB 4.4Å; M39-L49 HydrophobicContact SD-CD2 4.05Å; L49-V70 HydrophobicContact CD2-CG1 4.02Å; L49-F71 HydrophobicContact CD1-CD2 4.17Å; L49-F71 HydrophobicContact CD1-CE2 4.11Å; L49-F71 HydrophobicContact CD2-CD2 3.59Å; L49-F71 HydrophobicContact CD2-CE2 3.7Å; L49-F71 HydrophobicContact CG-CE2 4.49Å
50R95.7Very high91.1Very high181 Ų18191.4 Ų91.468%0.68341%0.411SS*.EExtended strand (participates in β ladder)trans-67.8153171.8-67.7-174.2-177.5-163.1-2.8110M47 T52M47-R50 HydrophobicContact CE-CG 3.45Å; M47-R50 VanDerWaalsContact CE-CG 3.45Å; M47-R50 VanDerWaalsContact CE-NE 3.31Å; M47-R50 HydrophobicContact CG-CG 4.31Å; M47-R50 HydrophobicContact SD-CB 4.27Å; M47-R50 HydrophobicContact SD-CG 3.17Å; M47-R50 WeakPolarHBondContact SD-CG 3.44Å; R50-T52 WeakPolarHBondContact O-CB 3.14Å; R50-T52 PolarHBondContact O-N 2.79Å; R50-T52 PolarHBondContact O-OG1 2.82Å
51R95.5Very high90.4Very high87 Ų8790.4 Ų90.433%0.32841%0.408SS..EExtended strand (participates in β ladder)trans-46.8109.8172.2-174.2174176.4171.8-1110.4E6 Y31 D34 S36 V37 E38E6-R51 IonicContact OE1-CZ 2.91Å; E6-R51 IonicContact OE1-NH1 3.21Å; E6-R51 IonicContact OE1-NH2 2.9Å; E6-R51 PolarHBondContact OE1-NH2 2.84Å; E6-R51 IonicContact OE2-CZ 2.76Å; E6-R51 IonicContact OE2-NH1 3.72Å; E6-R51 PolarHBondContact OE2-NH1 2.9Å; E6-R51 IonicContact OE2-NH2 3.43Å; E6-R51 PolarHBondContact OE2-NH2 2.82Å; Y31-R51 HydrophobicContact CD2-CG 4.12Å; Y31-R51 HydrophobicContact CE2-CG 4.03Å; D34-R51 IonicContact OD1-CZ 3.9Å; D34-R51 IonicContact OD1-NE 2.76Å; D34-R51 IonicContact OD1-NH2 3.14Å; D34-R51 PolarHBondContact OD1-NH2 2.75Å; D34-R51 VanDerWaalsContact OD1-NH2 3.14Å; D34-R51 IonicContact OD2-CZ 2.61Å; D34-R51 IonicContact OD2-NE 3.61Å; D34-R51 PolarHBondContact OD2-NE 3.3Å; D34-R51 IonicContact OD2-NH2 2.78Å; D34-R51 PolarHBondContact OD2-NH2 3.19Å; S36-R51 WeakPolarHBondContact OG-CG 3.43Å; S36-R51 PolarHBondContact OG-NE 2.85Å; V37-R51 VanDerWaalsContact O-CA 3.3Å; V37-R51 WeakPolarHBondContact O-CA 3.32Å; E38-R51 HydrophobicContact CB-CB 4.38Å
52T95.9Very high90.1Very high55 Ų5590.2 Ų90.234%0.33741%0.407SS..EExtended strand (participates in β ladder)trans-134.3136.8-175.1-55.50000107.9S36 V37 R50 Y54 F71S36-T52 CarbonylContact C-O 3.57Å; S36-T52 VanDerWaalsContact CA-O 3.26Å; S36-T52 WeakPolarHBondContact CA-O 3.26Å; S36-T52 WeakPolarHBondContact CB-O 3.36Å; V37-T52 PolarHBondContact N-O 3.07Å; V37-T52 PolarHBondContact O-N 3.36Å; R50-T52 WeakPolarHBondContact O-CB 3.14Å; R50-T52 PolarHBondContact O-N 2.79Å; R50-T52 PolarHBondContact O-OG1 2.82Å; T52-Y54 PolarHBondContact O-N 2.8Å; T52-F71 HydrophobicContact CG2-CE2 4.32Å; T52-F71 HydrophobicContact CG2-CZ 3.73Å
53K93.9Very high89.8Confident143 Ų14387.2 Ų87.262%0.62239%0.391SS*.EExtended strand (participates in β ladder)trans-60.5137.3174.2-74.6-169.5172.1-169.90110.5
54Y92.4Very high89.5Confident26 Ų2682.7 Ų82.710%0.10237%0.374CS..  trans-15098-178.9-168.5-100.6000108.8N35 V37 T52 D56 L57 T69 F71N35-Y54 CarbonylContact O-C 3.56Å; N35-Y54 PolarHBondContact O-N 2.87Å; N35-Y54 VanDerWaalsContact O-O 3.13Å; V37-Y54 HydrophobicContact CG2-CG 4.18Å; T52-Y54 PolarHBondContact O-N 2.8Å; Y54-D56 VanDerWaalsContact C-N 3.3Å; Y54-D56 HydrophobicContact CD1-CB 4.47Å; Y54-D56 HydrophobicContact CE1-CB 3.86Å; Y54-D56 PolarHBondContact O-N 2.9Å; Y54-L57 HydrophobicContact CD1-CB 3.61Å; Y54-L57 HydrophobicContact CE1-CB 3.9Å; Y54-T69 WeakPolarHBondContact CE1-O 3.17Å; Y54-T69 VanDerWaalsContact CZ-O 3.3Å; Y54-T69 PolarHBondContact OH-O 3.33Å; Y54-F71 HydrophobicContact CD2-CD2 4.23Å; Y54-F71 HydrophobicContact CD2-CE1 4.18Å; Y54-F71 AromaticContact CD2-CE2 3.85Å; Y54-F71 HydrophobicContact CD2-CE2 3.85Å; Y54-F71 AromaticContact CD2-CZ 3.82Å; Y54-F71 HydrophobicContact CD2-CZ 3.82Å; Y54-F71 HydrophobicContact CE2-CD1 4.44Å; Y54-F71 HydrophobicContact CE2-CD2 4.43Å; Y54-F71 HydrophobicContact CE2-CE1 4.49Å; Y54-F71 HydrophobicContact CE2-CE2 4.47Å; Y54-F71 HydrophobicContact CE2-CG 4.41Å; Y54-F71 HydrophobicContact CE2-CZ 4.5Å
55E85.3Confident88.8Confident142 Ų14278.7 Ų78.766%0.66437%0.371SS*.THydrogen-bonded Turntrans-77.9-16.3-170.8-60.7-170.3172.300113.3L57 H58E55-L57 VanDerWaalsContact C-N 3.27Å; E55-L57 PolarHBondContact O-N 2.79Å; E55-H58 PolarHBondContact O-CE1 3.03Å
56D82.5Confident88.3Confident115 Ų11572.5 Ų72.562%0.61534%0.343SS*.THydrogen-bonded Turntrans-82.3-0.4-176.6-59.9-41000113.7Y54Y54-D56 VanDerWaalsContact C-N 3.3Å; Y54-D56 HydrophobicContact CD1-CB 4.47Å; Y54-D56 HydrophobicContact CE1-CB 3.86Å; Y54-D56 PolarHBondContact O-N 2.9Å
57L86.9Confident87.9Confident3 Ų370.5 Ų70.52%0.01634%0.335CS..  trans-115124.1177.7-175.865.3000110.9F30 V37 Y54 E55 D61 L62 V68 V70F30-L57 HydrophobicContact CD2-CD2 3.98Å; F30-L57 HydrophobicContact CD2-CG 4.34Å; F30-L57 HydrophobicContact CE2-CD2 4.45Å; F30-L57 HydrophobicContact CE2-CG 4.35Å; F30-L57 WeakPolarHBondContact CE2-O 3.41Å; V37-L57 HydrophobicContact CG1-CD2 3.62Å; Y54-L57 HydrophobicContact CD1-CB 3.61Å; Y54-L57 HydrophobicContact CE1-CB 3.9Å; E55-L57 VanDerWaalsContact C-N 3.27Å; E55-L57 PolarHBondContact O-N 2.79Å; L57-D61 HydrophobicContact CD1-CB 3.91Å; L57-L62 HydrophobicContact CD1-CD2 4.25Å; L57-L62 HydrophobicContact CD2-CD2 4.17Å; L57-L62 HydrophobicContact CG-CD2 4.43Å; L57-V68 HydrophobicContact CD1-CB 3.7Å; L57-V68 HydrophobicContact CD1-CG1 3.76Å; L57-V68 HydrophobicContact CD1-CG2 4.3Å; L57-V70 HydrophobicContact CD2-CG2 4.29Å
58H85.4Confident87.6Confident86 Ų8666.8 Ų66.840%0.39832%0.317SS..  trans-112.6158.6-178.8-57.583.7000111.2E55 E60 D61E55-H58 PolarHBondContact O-CE1 3.03Å; H58-E60 HydrophobicContact CB-CG 3.88Å; H58-E60 PolarHBondContact O-N 3.24Å; H58-D61 WeakPolarHBondContact CB-OD2 3.44Å; H58-D61 PolarHBondContact N-OD2 3.42Å; H58-D61 IonicContact ND1-OD2 3.46Å; H58-D61 WeakPolarHBondContact O-CB 3.17Å; H58-D61 PolarHBondContact O-N 3.37Å
59L84.5Confident87.2Confident69 Ų6964.4 Ų64.436%0.36131%0.309SS..G310 helixtrans-60.4-31.5179.3-177.659.3000112.5Y9 F30 D61 L62 L89Y9-L59 HydrophobicContact CD2-CD1 3.39Å; Y9-L59 HydrophobicContact CE2-CD1 3.31Å; Y9-L59 HydrophobicContact CE2-CD2 4.1Å; Y9-L59 HydrophobicContact CE2-CG 4.37Å; Y9-L59 HydrophobicContact CG-CD1 4.43Å; F30-L59 HydrophobicContact CD1-CD1 4.42Å; F30-L59 HydrophobicContact CE1-CB 4.18Å; F30-L59 HydrophobicContact CE1-CD1 4.3Å; L59-D61 PolarHBondContact O-N 2.87Å; L59-L62 HydrophobicContact CD1-CD1 4.17Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 3.17Å; L59-L89 HydrophobicContact CD1-CD1 4.39Å; L59-L89 HydrophobicContact CD1-CD2 4.36Å
60E79.2Confident87Confident109 Ų10962.9 Ų62.951%0.50930%0.3SS..G310 helixtrans-67.8-20.2177.358.2-167.2-179.500113.5H58 L62 F63H58-E60 HydrophobicContact CB-CG 3.88Å; H58-E60 PolarHBondContact O-N 3.24Å; E60-L62 VanDerWaalsContact C-N 3.29Å; E60-F63 WeakPolarHBondContact O-CD1 3.45Å
61D82.2Confident86.6Confident43 Ų4358 Ų5823%0.2328%0.284CS..G310 helixtrans-80.5-13174.7-55.3-49.4000112.4L57 H58 L59 F63 N66 V68L57-D61 HydrophobicContact CD1-CB 3.91Å; H58-D61 WeakPolarHBondContact CB-OD2 3.44Å; H58-D61 PolarHBondContact N-OD2 3.42Å; H58-D61 IonicContact ND1-OD2 3.46Å; H58-D61 WeakPolarHBondContact O-CB 3.17Å; H58-D61 PolarHBondContact O-N 3.37Å; L59-D61 PolarHBondContact O-N 2.87Å; D61-F63 PolarHBondContact O-N 3.47Å; D61-F63 VanDerWaalsContact O-N 3.11Å; D61-N66 PolarHBondContact O-ND2 2.77Å; D61-V68 HydrophobicContact CB-CG1 3.93Å; D61-V68 WeakPolarHBondContact O-CG1 3.38Å
62L87.4Confident85.9Confident0 Ų057.9 Ų57.90%030%0.297CS..  trans-91.675.6-168.5-68178.9000112.4F11 L28 F30 L57 L59 E60 L77F11-L62 HydrophobicContact CD2-CD2 4.28Å; F11-L62 HydrophobicContact CE2-CB 3.7Å; F11-L62 HydrophobicContact CE2-CD1 4.1Å; F11-L62 HydrophobicContact CE2-CD2 4.1Å; F11-L62 HydrophobicContact CE2-CG 4.19Å; F11-L62 HydrophobicContact CZ-CB 3.64Å; F11-L62 VanDerWaalsContact CZ-O 3.29Å; F11-L62 WeakPolarHBondContact CZ-O 3.4Å; L28-L62 HydrophobicContact CD2-CD2 4.46Å; F30-L62 HydrophobicContact CB-CD1 3.51Å; F30-L62 HydrophobicContact CD1-CD1 3.24Å; F30-L62 HydrophobicContact CD2-CD1 4.19Å; F30-L62 HydrophobicContact CE1-CD1 3.93Å; F30-L62 HydrophobicContact CG-CD1 3.39Å; L57-L62 HydrophobicContact CD1-CD2 4.25Å; L57-L62 HydrophobicContact CD2-CD2 4.17Å; L57-L62 HydrophobicContact CG-CD2 4.43Å; L59-L62 HydrophobicContact CD1-CD1 4.17Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 3.17Å; E60-L62 VanDerWaalsContact C-N 3.29Å; L62-L77 HydrophobicContact CD2-CD1 3.99Å
63F84.8Confident85.5Confident4 Ų458.8 Ų58.82%0.01829%0.294CS..SBendtrans-141.3150.5178.965.2-92.8000114.3E60 D61 G65 N66 L77 I93 I121 T123 T166E60-F63 WeakPolarHBondContact O-CD1 3.45Å; D61-F63 PolarHBondContact O-N 3.47Å; D61-F63 VanDerWaalsContact O-N 3.11Å; F63-G65 PolarHBondContact O-N 3.37Å; F63-N66 HydrophobicContact CD1-CB 3.99Å; F63-N66 HydrophobicContact CD2-CB 3.77Å; F63-N66 HydrophobicContact CE1-CB 3.81Å; F63-N66 WeakPolarHBondContact CE1-ND2 3.42Å; F63-N66 HydrophobicContact CE2-CB 3.57Å; F63-N66 HydrophobicContact CG-CB 3.97Å; F63-N66 HydrophobicContact CZ-CB 3.58Å; F63-N66 VanDerWaalsContact CZ-CG 3.44Å; F63-N66 VanDerWaalsContact O-CB 3.27Å; F63-N66 WeakPolarHBondContact O-CB 3.29Å; F63-N66 PolarHBondContact O-N 3.05Å; F63-L77 WeakPolarHBondContact O-CB 3.35Å; F63-L77 WeakPolarHBondContact O-CD1 3.4Å; F63-I93 HydrophobicContact CB-CB 4.27Å; F63-I93 HydrophobicContact CB-CD1 3.2Å; F63-I93 HydrophobicContact CB-CG1 4.25Å; F63-I93 HydrophobicContact CB-CG2 3.84Å; F63-I93 HydrophobicContact CD1-CD1 4.3Å; F63-I93 HydrophobicContact CD2-CG2 4.16Å; F63-I93 HydrophobicContact CG-CD1 4.05Å; F63-I93 HydrophobicContact CG-CG2 4.05Å; F63-I121 HydrophobicContact CE1-CD1 3.82Å; F63-I121 HydrophobicContact CZ-CD1 4.47Å; F63-T123 HydrophobicContact CE2-CG2 3.97Å; F63-T123 HydrophobicContact CZ-CG2 3.75Å; F63-T166 HydrophobicContact CD2-CG2 3.89Å; F63-T166 HydrophobicContact CE2-CG2 3.68Å; F63-T166 HydrophobicContact CG-CG2 4.46Å; F63-T166 HydrophobicContact CZ-CG2 4.08Å
64L85.1Confident85.1Confident57 Ų5753.2 Ų53.230%0.29827%0.27SS..THydrogen-bonded Turntrans-60.8134.8-176.4-58.4-170.1000111.5F11 N66 D79 Y80F11-L64 HydrophobicContact CD1-CD2 4.18Å; F11-L64 HydrophobicContact CE1-CD2 4.35Å; L64-N66 VanDerWaalsContact C-N 3.28Å; L64-N66 PolarHBondContact O-N 3.09Å; L64-D79 VanDerWaalsContact CD2-C 3.42Å; L64-Y80 HydrophobicContact CD1-CD2 3.93Å; L64-Y80 HydrophobicContact CD1-CE2 3.49Å; L64-Y80 VanDerWaalsContact CD1-CE2 3.49Å; L64-Y80 HydrophobicContact CD2-CD1 4.24Å; L64-Y80 HydrophobicContact CD2-CD2 4.45Å; L64-Y80 HydrophobicContact CD2-CE1 4.1Å; L64-Y80 HydrophobicContact CD2-CE2 4.3Å; L64-Y80 HydrophobicContact CD2-CG 4.41Å; L64-Y80 HydrophobicContact CG-CD2 4.4Å; L64-Y80 HydrophobicContact CG-CE1 4.15Å; L64-Y80 HydrophobicContact CG-CE2 3.83Å
65G76.7Confident85Confident41 Ų4152 Ų5242%0.42327%0.265SS..THydrogen-bonded Turntrans87.1-17.7-174.900000114.4F63 L77F63-G65 PolarHBondContact O-N 3.37Å; G65-L77 PolarHBondContact N-O 3.17Å
66N82.9Confident85.1Confident28 Ų2849.2 Ų49.215%0.1525%0.251CS..  trans-67.6153.5175.9-158.318.3000111.5D61 F63 L64 K76 L77D61-N66 PolarHBondContact O-ND2 2.77Å; F63-N66 HydrophobicContact CD1-CB 3.99Å; F63-N66 HydrophobicContact CD2-CB 3.77Å; F63-N66 HydrophobicContact CE1-CB 3.81Å; F63-N66 WeakPolarHBondContact CE1-ND2 3.42Å; F63-N66 HydrophobicContact CE2-CB 3.57Å; F63-N66 HydrophobicContact CG-CB 3.97Å; F63-N66 HydrophobicContact CZ-CB 3.58Å; F63-N66 VanDerWaalsContact CZ-CG 3.44Å; F63-N66 VanDerWaalsContact O-CB 3.27Å; F63-N66 WeakPolarHBondContact O-CB 3.29Å; F63-N66 PolarHBondContact O-N 3.05Å; L64-N66 VanDerWaalsContact C-N 3.28Å; L64-N66 PolarHBondContact O-N 3.09Å; N66-K76 WeakPolarHBondContact O-CA 3.46Å; N66-L77 HydrophobicContact CB-CD1 4.42Å; N66-L77 PolarHBondContact O-N 2.88Å
67R85.5Confident85.5Confident105 Ų10543.8 Ų43.840%0.39622%0.222SC..EExtended strand (participates in β ladder)trans-109.6118.8170.2-68.8180-179.8-1234.5108.6L75 K76R67-L75 CarbonylContact C-O 3.59Å; R67-L75 WeakPolarHBondContact CA-O 3.28Å; R67-K76 HydrophobicContact CG-CB 4.27Å; R67-K76 HydrophobicContact CG-CG 4.4Å
68V88.1Confident85.7Confident6 Ų646 Ų464%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-113.8137.6179.7-60.50000110.1L28 L57 D61 L75 L77L28-V68 HydrophobicContact CD2-CG2 4.14Å; L57-V68 HydrophobicContact CD1-CB 3.7Å; L57-V68 HydrophobicContact CD1-CG1 3.76Å; L57-V68 HydrophobicContact CD1-CG2 4.3Å; D61-V68 HydrophobicContact CB-CG1 3.93Å; D61-V68 WeakPolarHBondContact O-CG1 3.38Å; V68-L75 HydrophobicContact CG2-CB 4.13Å; V68-L75 PolarHBondContact N-O 3.31Å; V68-L75 PolarHBondContact O-N 3.04Å; V68-L77 HydrophobicContact CG1-CD1 4.08Å; V68-L77 HydrophobicContact CG1-CG 4.45Å; V68-L77 HydrophobicContact CG2-CD1 4.48Å; V68-L77 HydrophobicContact CG2-CD2 3.83Å; V68-L77 HydrophobicContact CG2-CG 4.22Å
69T87.1Confident86Confident20 Ų2045.9 Ų45.912%0.12324%0.236CC..EExtended strand (participates in β ladder)trans-92.6125.1178.2-61.90000110Y54 R73 C305 S306Y54-T69 WeakPolarHBondContact CE1-O 3.17Å; Y54-T69 VanDerWaalsContact CZ-O 3.3Å; Y54-T69 PolarHBondContact OH-O 3.33Å; T69-R73 WeakPolarHBondContact CA-O 3.41Å; T69-C305 PolarHBondContact OG1-O 3.16Å; T69-S306 WeakPolarHBondContact CB-O 3.3Å; T69-S306 VanDerWaalsContact OG1-C 3.31Å; T69-S306 PolarHBondContact OG1-O 3.02Å
70V90.2Very high86.4Confident0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-128113.4174.5177.40000108.9L28 V37 M39 L49 L57 S72 R73 L75L28-V70 HydrophobicContact CD1-CG2 4.31Å; V37-V70 HydrophobicContact CG2-CG1 3.94Å; M39-V70 HydrophobicContact SD-CB 4.45Å; M39-V70 HydrophobicContact SD-CG1 3.92Å; L49-V70 HydrophobicContact CD2-CG1 4.02Å; L57-V70 HydrophobicContact CD2-CG2 4.29Å; V70-S72 VanDerWaalsContact C-N 3.35Å; V70-S72 PolarHBondContact O-N 3.24Å; V70-R73 PolarHBondContact N-O 3.35Å; V70-R73 WeakPolarHBondContact O-CB 3.24Å; V70-R73 PolarHBondContact O-N 3.31Å; V70-L75 HydrophobicContact CB-CD1 3.99Å; V70-L75 HydrophobicContact CG2-CD1 3.94Å
71F87.5Confident87Confident79 Ų7940.4 Ų40.435%0.34621%0.213SC..THydrogen-bonded Turntrans45.656.2-177.8-66.1-75.5000112.7V37 L49 T52 Y54 R73V37-F71 HydrophobicContact CG2-CE2 4.22Å; L49-F71 HydrophobicContact CD1-CD2 4.17Å; L49-F71 HydrophobicContact CD1-CE2 4.11Å; L49-F71 HydrophobicContact CD2-CD2 3.59Å; L49-F71 HydrophobicContact CD2-CE2 3.7Å; L49-F71 HydrophobicContact CG-CE2 4.49Å; T52-F71 HydrophobicContact CG2-CE2 4.32Å; T52-F71 HydrophobicContact CG2-CZ 3.73Å; Y54-F71 HydrophobicContact CD2-CD2 4.23Å; Y54-F71 HydrophobicContact CD2-CE1 4.18Å; Y54-F71 AromaticContact CD2-CE2 3.85Å; Y54-F71 HydrophobicContact CD2-CE2 3.85Å; Y54-F71 AromaticContact CD2-CZ 3.82Å; Y54-F71 HydrophobicContact CD2-CZ 3.82Å; Y54-F71 HydrophobicContact CE2-CD1 4.44Å; Y54-F71 HydrophobicContact CE2-CD2 4.43Å; Y54-F71 HydrophobicContact CE2-CE1 4.49Å; Y54-F71 HydrophobicContact CE2-CE2 4.47Å; Y54-F71 HydrophobicContact CE2-CG 4.41Å; Y54-F71 HydrophobicContact CE2-CZ 4.5Å; F71-R73 VanDerWaalsContact C-N 3.26Å; F71-R73 PolarHBondContact O-N 2.88Å; F71-R73 PolarHBondContact O-NH1 2.91Å; F71-R73 VanDerWaalsContact O-NH1 3.16Å
72S80.7Confident87.4Confident85 Ų8540.5 Ų40.559%0.59421%0.214SC*.THydrogen-bonded Turntrans65.917.3179.9-48.10000115.7V70V70-S72 VanDerWaalsContact C-N 3.35Å; V70-S72 PolarHBondContact O-N 3.24Å
73R86.1Confident87.5Confident74 Ų7446.8 Ų46.828%0.27924%0.243SC..EExtended strand (participates in β ladder)trans-113.1118.8173.3-61.2179.1177.471.61.6109.9W15 T69 V70 F71 L75W15-R73 HydrophobicContact CD2-CB 4.22Å; W15-R73 HydrophobicContact CD2-CG 4.14Å; W15-R73 HydrophobicContact CG-CB 4.24Å; W15-R73 HydrophobicContact CH2-CG 4.27Å; W15-R73 HydrophobicContact CZ2-CB 4.43Å; W15-R73 HydrophobicContact CZ2-CG 3.68Å; T69-R73 WeakPolarHBondContact CA-O 3.41Å; V70-R73 PolarHBondContact N-O 3.35Å; V70-R73 WeakPolarHBondContact O-CB 3.24Å; V70-R73 PolarHBondContact O-N 3.31Å; F71-R73 VanDerWaalsContact C-N 3.26Å; F71-R73 PolarHBondContact O-N 2.88Å; F71-R73 PolarHBondContact O-NH1 2.91Å; F71-R73 VanDerWaalsContact O-NH1 3.16Å; R73-L75 HydrophobicContact CB-CD2 4.03Å; R73-L75 PolarHBondContact O-N 2.82Å
74Q85.6Confident87.7Confident25 Ų2550.8 Ų50.812%0.11726%0.26CS..EExtended strand (participates in β ladder)trans-76.5102.6170.6-77.5-172.1-6.100110.2I278 C305Q74-I278 PolarHBondContact NE2-O 3.34Å; Q74-C305 WeakPolarHBondContact CG-O 3.43Å; Q74-C305 PolarHBondContact NE2-O 3.41Å
75L91.2Very high88Confident0 Ų048 Ų480%025%0.246CC..EExtended strand (participates in β ladder)trans-92.6118.4177.9-53.1-176.7000109.2T13 W15 Y26 L28 M39 R67 V68 V70 R73T13-L75 HydrophobicContact CG2-CB 4.37Å; W15-L75 HydrophobicContact CB-CD2 3.65Å; W15-L75 HydrophobicContact CG-CD2 4.03Å; Y26-L75 HydrophobicContact CD2-CD2 4.3Å; L28-L75 HydrophobicContact CD1-CD1 4.34Å; L28-L75 HydrophobicContact CD2-CD1 4.29Å; M39-L75 HydrophobicContact CE-CD1 3.67Å; M39-L75 HydrophobicContact CE-CD2 3.93Å; M39-L75 HydrophobicContact CE-CG 4.45Å; M39-L75 HydrophobicContact SD-CD1 3.94Å; R67-L75 CarbonylContact C-O 3.59Å; R67-L75 WeakPolarHBondContact CA-O 3.28Å; V68-L75 HydrophobicContact CG2-CB 4.13Å; V68-L75 PolarHBondContact N-O 3.31Å; V68-L75 PolarHBondContact O-N 3.04Å; V70-L75 HydrophobicContact CB-CD1 3.99Å; V70-L75 HydrophobicContact CG2-CD1 3.94Å; R73-L75 HydrophobicContact CB-CD2 4.03Å; R73-L75 PolarHBondContact O-N 2.82Å
76K87.8Confident88.4Confident85 Ų8547.2 Ų47.237%0.3724%0.235SC..EExtended strand (participates in β ladder)trans-79.6122.5168.3-173.5-178.6179.7-175.20108.9T13 E14 N66 R67 I78T13-K76 CarbonylContact C-O 3.49Å; T13-K76 WeakPolarHBondContact CA-O 3.08Å; E14-K76 PolarHBondContact N-O 2.86Å; E14-K76 PolarHBondContact O-N 3.21Å; N66-K76 WeakPolarHBondContact O-CA 3.46Å; R67-K76 HydrophobicContact CG-CB 4.27Å; R67-K76 HydrophobicContact CG-CG 4.4Å; K76-I78 HydrophobicContact CB-CG2 4.4Å; K76-I78 HydrophobicContact CD-CG2 4.08Å; K76-I78 HydrophobicContact CG-CG2 4Å; K76-I78 PolarHBondContact O-N 2.82Å
77L91Very high88.5Confident0 Ų051 Ų510%026%0.256CS..EExtended strand (participates in β ladder)trans-76.7110.9174.8-54.7-177.4000108.6F11 T13 L28 L62 F63 G65 N66 V68F11-L77 HydrophobicContact CB-CD2 3.96Å; F11-L77 HydrophobicContact CD1-CB 4.33Å; F11-L77 HydrophobicContact CD1-CD1 4.25Å; F11-L77 HydrophobicContact CD1-CD2 4.44Å; F11-L77 HydrophobicContact CE1-CD1 4.4Å; F11-L77 HydrophobicContact CG-CD2 4.2Å; T13-L77 HydrophobicContact CG2-CD2 3.49Å; T13-L77 VanDerWaalsContact CG2-CD2 3.49Å; L28-L77 HydrophobicContact CD2-CD2 4.1Å; L62-L77 HydrophobicContact CD2-CD1 3.99Å; F63-L77 WeakPolarHBondContact O-CB 3.35Å; F63-L77 WeakPolarHBondContact O-CD1 3.4Å; G65-L77 PolarHBondContact N-O 3.17Å; N66-L77 HydrophobicContact CB-CD1 4.42Å; N66-L77 PolarHBondContact O-N 2.88Å; V68-L77 HydrophobicContact CG1-CD1 4.08Å; V68-L77 HydrophobicContact CG1-CG 4.45Å; V68-L77 HydrophobicContact CG2-CD1 4.48Å; V68-L77 HydrophobicContact CG2-CD2 3.83Å; V68-L77 HydrophobicContact CG2-CG 4.22Å
78I91.4Very high88.5Confident49 Ų4950.8 Ų50.825%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-107.5-26.6-171.858.1156.1000114L12 E14 K76L12-I78 HydrophobicContact CB-CG1 4.1Å; L12-I78 HydrophobicContact CD2-CD1 3.55Å; L12-I78 HydrophobicContact CD2-CG1 3.95Å; L12-I78 HydrophobicContact CG-CD1 3.65Å; L12-I78 HydrophobicContact CG-CG1 3.68Å; L12-I78 VanDerWaalsContact O-CG1 3.24Å; L12-I78 WeakPolarHBondContact O-CG1 3.46Å; L12-I78 PolarHBondContact O-N 3.26Å; E14-I78 HydrophobicContact CB-CG2 4.18Å; E14-I78 HydrophobicContact CG-CD1 3.65Å; E14-I78 HydrophobicContact CG-CG1 4.27Å; E14-I78 HydrophobicContact CG-CG2 4.17Å; K76-I78 HydrophobicContact CB-CG2 4.4Å; K76-I78 HydrophobicContact CD-CG2 4.08Å; K76-I78 HydrophobicContact CG-CG2 4Å; K76-I78 PolarHBondContact O-N 2.82Å
79D90.4Very high88.2Confident85 Ų8551.1 Ų51.146%0.45526%0.259SS..EExtended strand (participates in β ladder)trans-156.6167.2175.2-152.4-14.4000110.7F11 L12 L64F11-D79 CarbonylContact C-O 3.55Å; F11-D79 WeakPolarHBondContact CA-O 3.37Å; L12-D79 HydrophobicContact CB-CB 3.92Å; L12-D79 HydrophobicContact CD2-CB 4.1Å; L12-D79 PolarHBondContact N-O 2.8Å; L12-D79 PolarHBondContact O-N 2.88Å; L64-D79 VanDerWaalsContact CD2-C 3.42Å
80Y92.9Very high87.4Confident41 Ų4152 Ų5216%0.16127%0.271CS..EExtended strand (participates in β ladder)trans-75.6136.5168.4-60.4-66.3000109.9F11 L64 D82 T85 A86 L89 G90F11-Y80 HydrophobicContact CD1-CD1 4.13Å; F11-Y80 HydrophobicContact CD1-CE1 4.41Å; F11-Y80 AromaticContact CE1-CD1 3.68Å; F11-Y80 HydrophobicContact CE1-CD1 3.68Å; F11-Y80 AromaticContact CE1-CE1 3.61Å; F11-Y80 HydrophobicContact CE1-CE1 3.61Å; F11-Y80 HydrophobicContact CZ-CD1 4.3Å; F11-Y80 HydrophobicContact CZ-CE1 4.19Å; L64-Y80 HydrophobicContact CD1-CD2 3.93Å; L64-Y80 HydrophobicContact CD1-CE2 3.49Å; L64-Y80 VanDerWaalsContact CD1-CE2 3.49Å; L64-Y80 HydrophobicContact CD2-CD1 4.24Å; L64-Y80 HydrophobicContact CD2-CD2 4.45Å; L64-Y80 HydrophobicContact CD2-CE1 4.1Å; L64-Y80 HydrophobicContact CD2-CE2 4.3Å; L64-Y80 HydrophobicContact CD2-CG 4.41Å; L64-Y80 HydrophobicContact CG-CD2 4.4Å; L64-Y80 HydrophobicContact CG-CE1 4.15Å; L64-Y80 HydrophobicContact CG-CE2 3.83Å; Y80-D82 VanDerWaalsContact C-N 3.34Å; Y80-T85 HydrophobicContact CD1-CG2 3.7Å; Y80-T85 HydrophobicContact CE1-CG2 4.36Å; Y80-A86 HydrophobicContact CD2-CB 3.64Å; Y80-A86 HydrophobicContact CE2-CB 4.43Å; Y80-A86 HydrophobicContact CG-CB 3.82Å; Y80-L89 HydrophobicContact CE1-CB 4.06Å; Y80-G90 VanDerWaalsContact OH-CA 3.28Å; Y80-G90 WeakPolarHBondContact OH-CA 3.41Å
81G91.8Very high86.2Confident22 Ų2256.5 Ų56.523%0.22730%0.303CS..SBendtrans-79.9-15-179.800000113.8A10 Q27A10-G81 WeakPolarHBondContact O-CA 3.32Å; A10-G81 PolarHBondContact O-N 2.77Å; Q27-G81 PolarHBondContact NE2-O 2.9Å; Q27-G81 VanDerWaalsContact NE2-O 3.14Å
82D91.5Very high85.1Confident45 Ų4556.9 Ų56.924%0.24131%0.305CS..SBendtrans-155.9163.2173.559.244.8000112.6R8 A10 Y80 F84 T85 A86R8-D82 IonicContact NH2-OD2 3.55Å; A10-D82 WeakPolarHBondContact CB-OD2 3.21Å; Y80-D82 VanDerWaalsContact C-N 3.34Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 2.73Å; D82-F84 PolarHBondContact OD1-N 3.48Å; D82-T85 PolarHBondContact O-N 3.32Å; D82-T85 VanDerWaalsContact OD1-CB 3.26Å; D82-T85 WeakPolarHBondContact OD1-CB 3.46Å; D82-T85 PolarHBondContact OD1-N 2.97Å; D82-T85 PolarHBondContact OD1-OG1 3.4Å; D82-A86 PolarHBondContact O-N 3.47Å; D82-A86 VanDerWaalsContact O-N 3.07Å
83Q88.6Confident84.9Confident132 Ų13255.3 Ų55.362%0.61729%0.289SS*.Hα-helixtrans-65.8-29.1-179.2-168.564.353.300112.7A86 N87Q83-A86 PolarHBondContact O-N 2.9Å; Q83-N87 PolarHBondContact NE2-OD1 2.86Å; Q83-N87 WeakPolarHBondContact O-CB 2.98Å; Q83-N87 PolarHBondContact O-N 2.79Å; Q83-N87 PolarHBondContact O-ND2 2.76Å; Q83-N87 PolarHBondContact O-OD1 3.15Å
84F90.2Very high84.9Confident87 Ų8754.5 Ų54.538%0.38229%0.289SS..Hα-helixtrans-63.1-49177.2170.6-96.6000110.4Y9 D82 N87 K88Y9-F84 HydrophobicContact CD1-CE1 4.24Å; Y9-F84 AromaticContact CE1-CE1 3.97Å; Y9-F84 HydrophobicContact CE1-CE1 3.97Å; D82-F84 VanDerWaalsContact C-N 3.26Å; D82-F84 PolarHBondContact O-N 2.73Å; D82-F84 PolarHBondContact OD1-N 3.48Å; F84-N87 PolarHBondContact O-N 2.77Å; F84-K88 WeakPolarHBondContact O-CB 3.34Å; F84-K88 PolarHBondContact O-N 3.11Å
85T90.1Very high85.3Confident0 Ų057 Ų570%030%0.299CS..Hα-helixtrans-62.8-45.5176.7-51.60000110.6Y9 A10 F11 Y80 D82 N87 K88 L89Y9-T85 WeakPolarHBondContact CA-OG1 3.17Å; Y9-T85 HydrophobicContact CD1-CG2 3.96Å; Y9-T85 HydrophobicContact CG-CG2 4.33Å; A10-T85 PolarHBondContact N-OG1 3.14Å; A10-T85 WeakPolarHBondContact O-CG2 3.36Å; F11-T85 HydrophobicContact CE2-CG2 4.03Å; F11-T85 HydrophobicContact CZ-CG2 3.99Å; Y80-T85 HydrophobicContact CD1-CG2 3.7Å; Y80-T85 HydrophobicContact CE1-CG2 4.36Å; D82-T85 PolarHBondContact O-N 3.32Å; D82-T85 VanDerWaalsContact OD1-CB 3.26Å; D82-T85 WeakPolarHBondContact OD1-CB 3.46Å; D82-T85 PolarHBondContact OD1-N 2.97Å; D82-T85 PolarHBondContact OD1-OG1 3.4Å; T85-N87 VanDerWaalsContact C-N 3.31Å; T85-N87 PolarHBondContact O-N 2.77Å; T85-K88 PolarHBondContact O-N 3.03Å; T85-L89 HydrophobicContact CG2-CD1 3.78Å; T85-L89 HydrophobicContact CG2-CG 4.29Å; T85-L89 WeakPolarHBondContact O-CB 3.27Å; T85-L89 PolarHBondContact O-N 3.5Å
86A86.4Confident85.5Confident23 Ų2357 Ų5719%0.1930%0.299CS..Hα-helixtrans-58.3-41.9176.400000112.3Y80 D82 Q83 G90Y80-A86 HydrophobicContact CD2-CB 3.64Å; Y80-A86 HydrophobicContact CE2-CB 4.43Å; Y80-A86 HydrophobicContact CG-CB 3.82Å; D82-A86 PolarHBondContact O-N 3.47Å; D82-A86 VanDerWaalsContact O-N 3.07Å; Q83-A86 PolarHBondContact O-N 2.9Å; A86-G90 WeakPolarHBondContact O-CA 3.33Å; A86-G90 PolarHBondContact O-N 3.38Å
87N85.1Confident86Confident109 Ų10953 Ų5358%0.58328%0.281SS*.Hα-helixtrans-71.9-34.3178.5-69.6-10.2000112.5Q83 F84 T85Q83-N87 PolarHBondContact NE2-OD1 2.86Å; Q83-N87 WeakPolarHBondContact O-CB 2.98Å; Q83-N87 PolarHBondContact O-N 2.79Å; Q83-N87 PolarHBondContact O-ND2 2.76Å; Q83-N87 PolarHBondContact O-OD1 3.15Å; F84-N87 PolarHBondContact O-N 2.77Å; T85-N87 VanDerWaalsContact C-N 3.31Å; T85-N87 PolarHBondContact O-N 2.77Å
88K84.9Confident86.4Confident100 Ų10053 Ų5344%0.43528%0.281SS..Hα-helixtrans-81.5-36.8-175.8-166.967.2171.1-167.70112.8Y9 F84 T85 K92Y9-K88 HydrophobicContact CE1-CB 4.03Å; Y9-K88 HydrophobicContact CE1-CG 3.74Å; F84-K88 WeakPolarHBondContact O-CB 3.34Å; F84-K88 PolarHBondContact O-N 3.11Å; T85-K88 PolarHBondContact O-N 3.03Å; K88-K92 VanDerWaalsContact O-CD 3.32Å; K88-K92 WeakPolarHBondContact O-CD 3.37Å
89L82Confident86.7Confident12 Ų1250.7 Ų50.76%0.06327%0.27CS..Hα-helixtrans-112.7-25.8-173.8-56-175.8000113Y9 F11 L59 Y80 T85 S91 K92Y9-L89 HydrophobicContact CD1-CD1 3.84Å; Y9-L89 HydrophobicContact CD1-CG 4.15Å; Y9-L89 HydrophobicContact CD2-CD1 4.25Å; Y9-L89 HydrophobicContact CE1-CD1 4.29Å; Y9-L89 HydrophobicContact CE1-CD2 4.3Å; Y9-L89 HydrophobicContact CE1-CG 4.19Å; Y9-L89 HydrophobicContact CG-CD1 3.8Å; F11-L89 HydrophobicContact CE2-CD1 4.09Å; F11-L89 HydrophobicContact CZ-CD1 3.59Å; L59-L89 HydrophobicContact CD1-CD1 4.39Å; L59-L89 HydrophobicContact CD1-CD2 4.36Å; Y80-L89 HydrophobicContact CE1-CB 4.06Å; T85-L89 HydrophobicContact CG2-CD1 3.78Å; T85-L89 HydrophobicContact CG2-CG 4.29Å; T85-L89 WeakPolarHBondContact O-CB 3.27Å; T85-L89 PolarHBondContact O-N 3.5Å; L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 3.39Å; L89-K92 PolarHBondContact O-N 2.77Å; L89-K92 VanDerWaalsContact O-N 3.09Å
90G71.1Confident87Confident38 Ų3846.6 Ų46.639%0.39225%0.248SC..THydrogen-bonded Turntrans-67.1-24.4-174.300000116.1Y80 A86Y80-G90 VanDerWaalsContact OH-CA 3.28Å; Y80-G90 WeakPolarHBondContact OH-CA 3.41Å; A86-G90 WeakPolarHBondContact O-CA 3.33Å; A86-G90 PolarHBondContact O-N 3.38Å
91S63.3Low87.2Confident95 Ų9545 Ų4566%0.66424%0.242SC*.THydrogen-bonded Turntrans-91.9-4.6174.270.10000113.7L89L89-S91 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 3.39Å
92K65.9Low87.4Confident87 Ų8745 Ų4538%0.37824%0.238SC..SBendtrans-101.5-2.5-167.4-73.5-170164.7-118.80114.2K88 L89 G167 D168K88-K92 VanDerWaalsContact O-CD 3.32Å; K88-K92 WeakPolarHBondContact O-CD 3.37Å; L89-K92 PolarHBondContact O-N 2.77Å; L89-K92 VanDerWaalsContact O-N 3.09Å; K92-G167 CarbonylContact O-C 3.56Å; K92-D168 IonicContact NZ-OD2 3.44Å; K92-D168 PolarHBondContact NZ-OD2 2.97Å; K92-D168 WeakPolarHBondContact O-CA 3.26Å; K92-D168 WeakPolarHBondContact O-CB 3.2Å; K92-D168 PolarHBondContact O-N 3.3Å
93I76.7Confident87.5Confident52 Ų5245.5 Ų45.527%0.26724%0.24SC..  trans-130.298.4-170.8-59.2-173.2000109.3F63 T166F63-I93 HydrophobicContact CB-CB 4.27Å; F63-I93 HydrophobicContact CB-CD1 3.2Å; F63-I93 HydrophobicContact CB-CG1 4.25Å; F63-I93 HydrophobicContact CB-CG2 3.84Å; F63-I93 HydrophobicContact CD1-CD1 4.3Å; F63-I93 HydrophobicContact CD2-CG2 4.16Å; F63-I93 HydrophobicContact CG-CD1 4.05Å; F63-I93 HydrophobicContact CG-CG2 4.05Å; I93-T166 HydrophobicContact CG2-CG2 3.21Å
94E86.1Confident87.7Confident58 Ų5839.5 Ų39.527%0.27121%0.213SC..EExtended strand (participates in β ladder)trans-96.6149.2177.3-63.1-174.7161.600109.8T166 G167 A170 L213E94-T166 WeakPolarHBondContact O-CA 3.31Å; E94-G167 PolarHBondContact N-O 3.32Å; E94-G167 PolarHBondContact O-N 3.44Å; E94-A170 HydrophobicContact CB-CB 4.15Å; E94-A170 WeakPolarHBondContact O-CB 3.41Å; E94-L213 HydrophobicContact CB-CD2 4.43Å
95K92.4Very high87.9Confident77 Ų7736.9 Ų36.934%0.33520%0.203SC..EExtended strand (participates in β ladder)trans-108134.8168.1-63.2-174.2172.7-1510109.1E164 L165 T166 L220K95-E164 HydrophobicContact CD-CG 4.38Å; K95-E164 IonicContact NZ-OE1 3.71Å; K95-E164 PolarHBondContact NZ-OE1 3.41Å; K95-E164 IonicContact NZ-OE2 3.95Å; K95-L165 WeakPolarHBondContact CA-O 3.48Å; K95-T166 HydrophobicContact CG-CG2 4.46Å; K95-L220 HydrophobicContact CB-CD1 4.11Å
96T96.8Very high88.1Confident0 Ų041.4 Ų41.40%023%0.227CC..EExtended strand (participates in β ladder)trans-131.5157.7171.6-166.60000110.1L165 A170 W174T96-L165 HydrophobicContact CG2-CB 3.84Å; T96-L165 HydrophobicContact CG2-CD1 4.42Å; T96-L165 HydrophobicContact CG2-CG 4.5Å; T96-L165 PolarHBondContact N-O 2.94Å; T96-L165 PolarHBondContact O-N 2.93Å; T96-A170 HydrophobicContact CG2-CB 4.22Å; T96-W174 HydrophobicContact CG2-CB 4Å; T96-W174 HydrophobicContact CG2-CG 4.34Å
97F98.1Very high88.5Confident0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-98.2138.4176.9176.5-100.4000110.2L99 F138 A162 H208 G209 S210 E219 L220 F223F97-L99 HydrophobicContact CE1-CB 3.74Å; F97-L99 HydrophobicContact CZ-CB 4.01Å; F97-L99 HydrophobicContact CZ-CD1 4.01Å; F97-F138 HydrophobicContact CD1-CE2 4.47Å; F97-F138 HydrophobicContact CD1-CZ 4.11Å; F97-F138 AromaticContact CE1-CE2 3.89Å; F97-F138 HydrophobicContact CE1-CE2 3.89Å; F97-F138 AromaticContact CE1-CZ 3.48Å; F97-F138 HydrophobicContact CE1-CZ 3.48Å; F97-F138 VanDerWaalsContact CE1-CZ 3.48Å; F97-F138 HydrophobicContact CZ-CE2 4.25Å; F97-F138 HydrophobicContact CZ-CZ 4.2Å; F97-A162 HydrophobicContact CE2-CB 3.86Å; F97-A162 HydrophobicContact CZ-CB 4.05Å; F97-H208 AromaticContact CD1-CD2 3.86Å; F97-H208 AromaticContact CE1-CD2 3.96Å; F97-G209 WeakPolarHBondContact O-CA 3.48Å; F97-S210 WeakPolarHBondContact CB-OG 3.43Å; F97-S210 PolarHBondContact N-OG 2.88Å; F97-S210 PolarHBondContact O-N 3.33Å; F97-E219 HydrophobicContact CB-CB 3.91Å; F97-E219 WeakPolarHBondContact CB-OE2 3.47Å; F97-E219 HydrophobicContact CD1-CB 3.76Å; F97-E219 HydrophobicContact CD1-CG 4.33Å; F97-E219 WeakPolarHBondContact CD1-OE2 3.23Å; F97-E219 HydrophobicContact CD2-CB 4.22Å; F97-E219 HydrophobicContact CE1-CB 4.34Å; F97-E219 HydrophobicContact CG-CB 3.7Å; F97-L220 HydrophobicContact CB-CD2 4.28Å; F97-L220 HydrophobicContact CB-CG 4.15Å; F97-L220 HydrophobicContact CD2-CD2 3.94Å; F97-L220 HydrophobicContact CD2-CG 4.37Å; F97-F223 HydrophobicContact CD2-CD2 4.48Å; F97-F223 HydrophobicContact CE1-CD2 4.24Å; F97-F223 HydrophobicContact CE1-CE2 4.11Å; F97-F223 HydrophobicContact CE2-CB 4.05Å; F97-F223 AromaticContact CE2-CD2 3.35Å; F97-F223 HydrophobicContact CE2-CD2 3.35Å; F97-F223 HydrophobicContact CE2-CE2 4Å; F97-F223 AromaticContact CE2-CG 3.85Å; F97-F223 HydrophobicContact CE2-CG 3.85Å; F97-F223 AromaticContact CZ-CD2 3.2Å; F97-F223 HydrophobicContact CZ-CD2 3.2Å; F97-F223 AromaticContact CZ-CE2 3.33Å; F97-F223 HydrophobicContact CZ-CE2 3.33Å; F97-F223 AromaticContact CZ-CG 3.99Å; F97-F223 HydrophobicContact CZ-CG 3.99Å; F97-F223 HydrophobicContact CZ-CZ 4.19Å
98A98.2Very high89.1Confident0 Ų038.5 Ų38.50%021%0.205CC..EExtended strand (participates in β ladder)trans-125.6137.6172.400000110.1A162 M163 L165 W174 H208A98-A162 CarbonylContact O-C 3.58Å; A98-A162 WeakPolarHBondContact O-CA 3.5Å; A98-M163 HydrophobicContact CB-CB 4.3Å; A98-M163 HydrophobicContact CB-CE 4.09Å; A98-M163 PolarHBondContact N-O 3.38Å; A98-M163 PolarHBondContact O-N 3.38Å; A98-L165 HydrophobicContact CB-CD1 3.71Å; A98-L165 HydrophobicContact CB-CG 3.92Å; A98-W174 HydrophobicContact CB-CD2 4.38Å; A98-W174 HydrophobicContact CB-CH2 4.41Å; A98-W174 HydrophobicContact CB-CZ2 3.55Å; A98-H208 WeakPolarHBondContact CA-O 3.35Å
99L98.1Very high89.7Confident1 Ų133.8 Ų33.81%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-127.3119172.4-168.971.5000109.5F97 V160 V161 A162 C207 H208 F223F97-L99 HydrophobicContact CE1-CB 3.74Å; F97-L99 HydrophobicContact CZ-CB 4.01Å; F97-L99 HydrophobicContact CZ-CD1 4.01Å; L99-V160 HydrophobicContact CD1-CB 3.83Å; L99-V160 HydrophobicContact CD1-CG2 3.75Å; L99-V160 HydrophobicContact CG-CB 4.18Å; L99-V160 HydrophobicContact CG-CG2 4.49Å; L99-V161 CarbonylContact C-O 3.51Å; L99-V161 WeakPolarHBondContact CA-O 3.4Å; L99-A162 HydrophobicContact CD1-CB 3.9Å; L99-C207 CarbonylContact O-C 3.57Å; L99-C207 WeakPolarHBondContact O-CA 3.26Å; L99-H208 HydrophobicContact CB-CB 3.83Å; L99-H208 PolarHBondContact N-O 2.86Å; L99-H208 PolarHBondContact O-N 3.39Å; L99-F223 HydrophobicContact CD1-CE1 4.24Å; L99-F223 HydrophobicContact CD1-CE2 4.43Å; L99-F223 HydrophobicContact CD1-CZ 3.93Å
100V98.1Very high90.4Very high0 Ų035 Ų350%019%0.191CC..EExtended strand (participates in β ladder)trans-82.6123.8169.3-172.70000108.5V104 L105 I111 V160 V161 M163V100-V104 HydrophobicContact CG1-CG2 3.69Å; V100-L105 HydrophobicContact CB-CD2 4.38Å; V100-L105 HydrophobicContact CG1-CD2 4.01Å; V100-I111 HydrophobicContact CB-CD1 4.47Å; V100-I111 HydrophobicContact CG1-CD1 3.61Å; V100-I111 HydrophobicContact CG2-CD1 4.01Å; V100-I111 HydrophobicContact CG2-CG2 4.32Å; V100-V160 WeakPolarHBondContact O-CA 3.38Å; V100-V160 WeakPolarHBondContact O-CB 3.1Å; V100-V161 HydrophobicContact CB-CB 4.19Å; V100-V161 HydrophobicContact CG2-CB 4.39Å; V100-V161 PolarHBondContact N-O 3.32Å; V100-V161 PolarHBondContact O-N 2.92Å; V100-V161 VanDerWaalsContact O-N 3.08Å; V100-M163 HydrophobicContact CG2-CE 3.73Å
101K97Very high91.6Very high8 Ų833.2 Ų33.24%0.03517%0.173CC..  trans-80.1162.6-176.3-65-170.6179.1175.40112D103 V104 F154 I203 N205 V206K101-D103 VanDerWaalsContact C-N 3.29Å; K101-D103 WeakPolarHBondContact CB-OD1 2.96Å; K101-D103 PolarHBondContact O-N 2.91Å; K101-V104 WeakPolarHBondContact O-CG2 3.38Å; K101-V104 PolarHBondContact O-N 3.3Å; K101-F154 HydrophobicContact CB-CE1 4.07Å; K101-F154 HydrophobicContact CB-CZ 4.26Å; K101-F154 HydrophobicContact CD-CD1 4.4Å; K101-F154 HydrophobicContact CD-CE1 3.72Å; K101-F154 HydrophobicContact CG-CE1 4.46Å; K101-I203 PolarHBondContact NZ-O 3.33Å; K101-N205 WeakPolarHBondContact CE-OD1 3.27Å; K101-N205 PolarHBondContact NZ-OD1 2.89Å; K101-V206 WeakPolarHBondContact CB-O 3.38Å; K101-V206 PolarHBondContact N-O 2.88Å
102P95.9Very high93.3Very high22 Ų2228.7 Ų28.714%0.14314%0.141CC..G310 helixtrans-63-29.6-168.3-24.535.2000115.2V104 P159 V160P102-V104 VanDerWaalsContact C-N 3.27Å; P102-V104 PolarHBondContact O-N 2.91Å; P102-P159 VanDerWaalsContact CA-O 3.27Å; P102-P159 WeakPolarHBondContact CA-O 3.3Å; P102-P159 WeakPolarHBondContact CB-O 3.31Å; P102-P159 WeakPolarHBondContact CG-O 3.21Å; P102-V160 HydrophobicContact CG-CG1 3.78Å
103D92.1Very high94.8Very high54 Ų5428 Ų2829%0.28914%0.139SC..G310 helixtrans-69.8-20.7-175.560.7-36.9000114.2K101 F154K101-D103 VanDerWaalsContact C-N 3.29Å; K101-D103 WeakPolarHBondContact CB-OD1 2.96Å; K101-D103 PolarHBondContact O-N 2.91Å; D103-F154 HydrophobicContact CB-CE2 4.12Å; D103-F154 HydrophobicContact CB-CZ 3.89Å; D103-F154 WeakPolarHBondContact OD1-CZ 3.27Å
104V94.4Very high95.7Very high7 Ų727.4 Ų27.44%0.04214%0.137CC..G310 helixtrans-120.416.1-172.4-65.60000113.2V100 K101 P102 N106 K107 F198 V206V100-V104 HydrophobicContact CG1-CG2 3.69Å; K101-V104 WeakPolarHBondContact O-CG2 3.38Å; K101-V104 PolarHBondContact O-N 3.3Å; P102-V104 VanDerWaalsContact C-N 3.27Å; P102-V104 PolarHBondContact O-N 2.91Å; V104-N106 PolarHBondContact O-N 2.92Å; V104-K107 WeakPolarHBondContact O-CA 3.45Å; V104-K107 WeakPolarHBondContact O-CB 3.25Å; V104-K107 PolarHBondContact O-N 2.83Å; V104-F198 HydrophobicContact CG1-CB 4.24Å; V104-V206 HydrophobicContact CB-CG1 4.13Å; V104-V206 HydrophobicContact CG1-CB 4.35Å; V104-V206 HydrophobicContact CG1-CG1 4.04Å; V104-V206 HydrophobicContact CG1-CG2 4.27Å; V104-V206 HydrophobicContact CG2-CB 4.29Å; V104-V206 HydrophobicContact CG2-CG1 3.73Å; V104-V206 WeakPolarHBondContact CG2-O 3.43Å
105L94.4Very high96.2Very high31 Ų3124.7 Ų24.716%0.16212%0.124CC..G310 helixtrans-61.5-28.4178.2-71.6-173.7000113.3V100 K107 I108 P159 V161V100-L105 HydrophobicContact CB-CD2 4.38Å; V100-L105 HydrophobicContact CG1-CD2 4.01Å; L105-K107 PolarHBondContact O-N 3.25Å; L105-K107 VanDerWaalsContact O-N 3.16Å; L105-I108 WeakPolarHBondContact O-CB 3.49Å; L105-I108 VanDerWaalsContact O-CG2 3.25Å; L105-I108 WeakPolarHBondContact O-CG2 3.5Å; L105-I108 PolarHBondContact O-N 3.21Å; L105-P159 HydrophobicContact CD1-CB 3.97Å; L105-P159 HydrophobicContact CD1-CG 3.57Å; L105-P159 VanDerWaalsContact CD1-O 3.26Å; L105-P159 WeakPolarHBondContact CD1-O 3.37Å; L105-V161 HydrophobicContact CD2-CB 4.4Å; L105-V161 HydrophobicContact CD2-CG2 3.78Å
106N93.4Very high96.3Very high95 Ų9522.8 Ų22.851%0.50812%0.115SC..G310 helixtrans-68-5.4170.867.7-24.8000113.6V104 R264V104-N106 PolarHBondContact O-N 2.92Å; N106-R264 WeakPolarHBondContact O-CD 3.33Å; N106-R264 PolarHBondContact O-NH1 3.22Å
107K95.4Very high96.2Very high64 Ų6426.8 Ų26.828%0.27814%0.143SC..G310 helixtrans-11011.9174.9-57.3-60.7179.5-1790112.7V104 L105 G109 D110 I111 F198V104-K107 WeakPolarHBondContact O-CA 3.45Å; V104-K107 WeakPolarHBondContact O-CB 3.25Å; V104-K107 PolarHBondContact O-N 2.83Å; L105-K107 PolarHBondContact O-N 3.25Å; L105-K107 VanDerWaalsContact O-N 3.16Å; K107-G109 VanDerWaalsContact C-N 3.27Å; K107-G109 PolarHBondContact O-N 2.61Å; K107-D110 VanDerWaalsContact CD-OD2 3.23Å; K107-D110 WeakPolarHBondContact CD-OD2 3.47Å; K107-D110 WeakPolarHBondContact O-CB 3.41Å; K107-D110 PolarHBondContact O-N 3.47Å; K107-D110 VanDerWaalsContact O-N 3.12Å; K107-I111 WeakPolarHBondContact O-CG1 3.39Å; K107-I111 PolarHBondContact O-N 2.76Å; K107-F198 HydrophobicContact CD-CE1 4.34Å; K107-F198 HydrophobicContact CG-CD1 4.4Å
108I96.7Very high96Very high8 Ų827.8 Ų27.84%0.04115%0.151CC..Hα-helixtrans-57.3-39.6-178.7-169.7157.1000112.8L105 D110 I111 F112 V161 L260 L273L105-I108 WeakPolarHBondContact O-CB 3.49Å; L105-I108 VanDerWaalsContact O-CG2 3.25Å; L105-I108 WeakPolarHBondContact O-CG2 3.5Å; L105-I108 PolarHBondContact O-N 3.21Å; I108-D110 PolarHBondContact O-N 3.27Å; I108-I111 PolarHBondContact O-N 2.97Å; I108-F112 HydrophobicContact CD1-CE2 4.09Å; I108-F112 HydrophobicContact CG1-CD2 3.76Å; I108-F112 HydrophobicContact CG1-CE2 3.73Å; I108-F112 WeakPolarHBondContact O-CD2 3.43Å; I108-F112 PolarHBondContact O-N 3.47Å; I108-V161 HydrophobicContact CD1-CB 3.91Å; I108-V161 HydrophobicContact CD1-CG1 3.88Å; I108-V161 HydrophobicContact CD1-CG2 3.58Å; I108-L260 HydrophobicContact CG1-CD1 4.43Å; I108-L260 HydrophobicContact CG2-CD1 4.28Å; I108-L273 HydrophobicContact CD1-CD1 3.98Å
109G97.5Very high95.7Very high1 Ų135.2 Ų35.21%0.0118%0.183CC..Hα-helixtrans-59.3-47.8175.800000112.4K107 I111 F112 E113 G257 N261K107-G109 VanDerWaalsContact C-N 3.27Å; K107-G109 PolarHBondContact O-N 2.61Å; G109-I111 VanDerWaalsContact C-N 3.26Å; G109-I111 PolarHBondContact O-N 3.4Å; G109-F112 PolarHBondContact O-N 3.46Å; G109-F112 VanDerWaalsContact O-N 3.17Å; G109-E113 PolarHBondContact O-N 3Å; G109-G257 WeakPolarHBondContact CA-O 3.44Å; G109-G257 WeakPolarHBondContact O-CA 3.24Å; G109-N261 WeakPolarHBondContact CA-OD1 3.44Å
110D97Very high95.5Very high37 Ų3735.3 Ų35.320%0.19818%0.184CC..Hα-helixtrans-59.7-35.7176.6-54.2-50.1000112.2K107 I108 L114 F198 N261 R264K107-D110 VanDerWaalsContact CD-OD2 3.23Å; K107-D110 WeakPolarHBondContact CD-OD2 3.47Å; K107-D110 WeakPolarHBondContact O-CB 3.41Å; K107-D110 PolarHBondContact O-N 3.47Å; K107-D110 VanDerWaalsContact O-N 3.12Å; I108-D110 PolarHBondContact O-N 3.27Å; D110-L114 WeakPolarHBondContact O-CG 3.49Å; D110-L114 PolarHBondContact O-N 3.13Å; D110-L114 VanDerWaalsContact O-N 3.16Å; D110-F198 HydrophobicContact CB-CZ 4.48Å; D110-N261 PolarHBondContact N-OD1 3.41Å; D110-N261 PolarHBondContact OD1-ND2 3.07Å; D110-N261 PolarHBondContact OD1-OD1 3.22Å; D110-R264 IonicContact OD2-CZ 3.77Å; D110-R264 IonicContact OD2-NH1 3.99Å; D110-R264 PolarHBondContact OD2-NH1 3.26Å
111I97.3Very high95.2Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-69.5-44.2176.1-66.3164.5000111.1V100 K107 I108 G109 E113 L114 I115 M163 W174 L194 V206V100-I111 HydrophobicContact CB-CD1 4.47Å; V100-I111 HydrophobicContact CG1-CD1 3.61Å; V100-I111 HydrophobicContact CG2-CD1 4.01Å; V100-I111 HydrophobicContact CG2-CG2 4.32Å; K107-I111 WeakPolarHBondContact O-CG1 3.39Å; K107-I111 PolarHBondContact O-N 2.76Å; I108-I111 PolarHBondContact O-N 2.97Å; G109-I111 VanDerWaalsContact C-N 3.26Å; G109-I111 PolarHBondContact O-N 3.4Å; I111-E113 VanDerWaalsContact C-N 3.33Å; I111-E113 PolarHBondContact O-N 3.35Å; I111-L114 PolarHBondContact O-N 2.89Å; I111-I115 HydrophobicContact CG2-CD1 3.8Å; I111-I115 HydrophobicContact CG2-CG1 4.42Å; I111-I115 VanDerWaalsContact O-CG1 3.3Å; I111-I115 WeakPolarHBondContact O-CG1 3.29Å; I111-I115 PolarHBondContact O-N 3.26Å; I111-M163 HydrophobicContact CG2-CE 4.41Å; I111-W174 HydrophobicContact CG2-CH2 4.34Å; I111-L194 HydrophobicContact CG1-CD2 4.02Å; I111-V206 HydrophobicContact CD1-CG1 4.44Å
112F97.9Very high95.2Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-60.2-41.8174.8-92.1-89.7000111.8I108 G109 L114 I115 Y116 V122 A125 M163 T256 L260 I310I108-F112 HydrophobicContact CD1-CE2 4.09Å; I108-F112 HydrophobicContact CG1-CD2 3.76Å; I108-F112 HydrophobicContact CG1-CE2 3.73Å; I108-F112 WeakPolarHBondContact O-CD2 3.43Å; I108-F112 PolarHBondContact O-N 3.47Å; G109-F112 PolarHBondContact O-N 3.46Å; G109-F112 VanDerWaalsContact O-N 3.17Å; F112-L114 VanDerWaalsContact C-N 3.32Å; F112-L114 PolarHBondContact O-N 2.94Å; F112-I115 PolarHBondContact O-N 3.15Å; F112-Y116 HydrophobicContact CD1-CE1 4.35Å; F112-Y116 HydrophobicContact CD1-CE2 4.12Å; F112-Y116 AromaticContact CD1-CZ 3.75Å; F112-Y116 WeakPolarHBondContact CD1-OH 3.25Å; F112-Y116 WeakPolarHBondContact O-CD2 3.35Å; F112-Y116 PolarHBondContact O-N 2.91Å; F112-V122 HydrophobicContact CD1-CG2 4.12Å; F112-V122 HydrophobicContact CE1-CB 4.17Å; F112-V122 HydrophobicContact CE1-CG1 4.1Å; F112-V122 HydrophobicContact CE1-CG2 3.78Å; F112-V122 HydrophobicContact CZ-CG1 4.43Å; F112-A125 HydrophobicContact CZ-CB 4.48Å; F112-M163 HydrophobicContact CE1-SD 4.46Å; F112-M163 HydrophobicContact CE2-SD 3.94Å; F112-M163 HydrophobicContact CZ-SD 3.82Å; F112-T256 HydrophobicContact CD1-CG2 3.79Å; F112-T256 HydrophobicContact CE1-CG2 4.03Å; F112-T256 HydrophobicContact CG-CG2 4.12Å; F112-L260 HydrophobicContact CD2-CD1 3.75Å; F112-L260 HydrophobicContact CE2-CD1 4.1Å; F112-L260 HydrophobicContact CG-CD1 4.29Å; F112-I310 HydrophobicContact CE1-CD1 3.93Å; F112-I310 HydrophobicContact CZ-CD1 4.18Å
113E96.4Very high95Very high72 Ų7237.5 Ų37.534%0.33620%0.195SC..Hα-helixtrans-59.9-43.1175.3-67.5-166.1-163.200111.8G109 I111 Y116 S117 K258 N261G109-E113 PolarHBondContact O-N 3Å; I111-E113 VanDerWaalsContact C-N 3.33Å; I111-E113 PolarHBondContact O-N 3.35Å; E113-Y116 PolarHBondContact O-N 2.91Å; E113-S117 VanDerWaalsContact O-CB 3.26Å; E113-S117 WeakPolarHBondContact O-CB 3.34Å; E113-S117 PolarHBondContact O-N 2.88Å; E113-S117 PolarHBondContact O-OG 3.12Å; E113-K258 WeakPolarHBondContact OE1-CG 3.48Å; E113-K258 PolarHBondContact OE1-N 3.29Å; E113-N261 PolarHBondContact OE1-ND2 3.27Å
114L96.4Very high95.2Very high41 Ų4138.4 Ų38.422%0.21520%0.196CC..Hα-helixtrans-64.7-44.6178.2-75.9167.8000112.2D110 I111 F112 Y116 S117 A118 L194D110-L114 WeakPolarHBondContact O-CG 3.49Å; D110-L114 PolarHBondContact O-N 3.13Å; D110-L114 VanDerWaalsContact O-N 3.16Å; I111-L114 PolarHBondContact O-N 2.89Å; F112-L114 VanDerWaalsContact C-N 3.32Å; F112-L114 PolarHBondContact O-N 2.94Å; L114-Y116 PolarHBondContact O-N 3.05Å; L114-S117 WeakPolarHBondContact CA-OG 3.3Å; L114-S117 PolarHBondContact O-N 2.88Å; L114-S117 PolarHBondContact O-OG 3.3Å; L114-A118 WeakPolarHBondContact O-CB 3.49Å; L114-A118 PolarHBondContact O-N 2.81Å; L114-A118 VanDerWaalsContact O-N 3.07Å; L114-L194 HydrophobicContact CD1-CD2 3.34Å; L114-L194 HydrophobicContact CD1-CG 4.04Å
115I96.6Very high95.4Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-57.1-50.8176.8-70.1166.6000110.3I111 F112 A118 K119 L120 V122 M163 L165 W174I111-I115 HydrophobicContact CG2-CD1 3.8Å; I111-I115 HydrophobicContact CG2-CG1 4.42Å; I111-I115 VanDerWaalsContact O-CG1 3.3Å; I111-I115 WeakPolarHBondContact O-CG1 3.29Å; I111-I115 PolarHBondContact O-N 3.26Å; F112-I115 PolarHBondContact O-N 3.15Å; I115-A118 PolarHBondContact O-N 3.25Å; I115-K119 PolarHBondContact O-N 2.68Å; I115-L120 HydrophobicContact CG2-CB 3.73Å; I115-L120 PolarHBondContact O-N 3.38Å; I115-L120 VanDerWaalsContact O-N 3.15Å; I115-V122 HydrophobicContact CD1-CG2 4.49Å; I115-V122 HydrophobicContact CG2-CG2 3.81Å; I115-M163 HydrophobicContact CD1-CE 3.74Å; I115-M163 HydrophobicContact CD1-SD 4.27Å; I115-L165 HydrophobicContact CD1-CD1 4.37Å; I115-L165 HydrophobicContact CD1-CD2 3.99Å; I115-L165 HydrophobicContact CG1-CD1 4.44Å; I115-L165 HydrophobicContact CG2-CD2 4.01Å; I115-W174 HydrophobicContact CD1-CZ3 4.25Å; I115-W174 HydrophobicContact CG1-CE3 4.4Å; I115-W174 HydrophobicContact CG1-CZ3 3.88Å
116Y94.9Very high95.5Very high37 Ų3737.4 Ų37.415%0.14519%0.191CC..Hα-helixtrans-68.3-37.2-179.5-62.5-25.3000112.9F112 E113 L114 A118 K119 V122 G254 T256F112-Y116 HydrophobicContact CD1-CE1 4.35Å; F112-Y116 HydrophobicContact CD1-CE2 4.12Å; F112-Y116 AromaticContact CD1-CZ 3.75Å; F112-Y116 WeakPolarHBondContact CD1-OH 3.25Å; F112-Y116 WeakPolarHBondContact O-CD2 3.35Å; F112-Y116 PolarHBondContact O-N 2.91Å; E113-Y116 PolarHBondContact O-N 2.91Å; L114-Y116 PolarHBondContact O-N 3.05Å; Y116-A118 PolarHBondContact O-N 3.3Å; Y116-K119 PolarHBondContact O-N 3.37Å; Y116-V122 HydrophobicContact CE1-CB 4.46Å; Y116-V122 HydrophobicContact CE1-CG2 3.93Å; Y116-G254 VanDerWaalsContact CD2-CA 3.47Å; Y116-T256 WeakPolarHBondContact CE2-OG1 3.2Å; Y116-T256 PolarHBondContact OH-OG1 2.79Å; Y116-T256 VanDerWaalsContact OH-OG1 3.11Å
117S94.4Very high95.8Very high84 Ų8433.3 Ų33.359%0.58717%0.168SC*.Hα-helixtrans-61.9-29.8175.576.30000112.5E113 L114 K119E113-S117 VanDerWaalsContact O-CB 3.26Å; E113-S117 WeakPolarHBondContact O-CB 3.34Å; E113-S117 PolarHBondContact O-N 2.88Å; E113-S117 PolarHBondContact O-OG 3.12Å; L114-S117 WeakPolarHBondContact CA-OG 3.3Å; L114-S117 PolarHBondContact O-N 2.88Å; L114-S117 PolarHBondContact O-OG 3.3Å; S117-K119 VanDerWaalsContact C-N 3.26Å; S117-K119 PolarHBondContact O-N 3.48Å
118A94.5Very high95.8Very high21 Ų2130.2 Ų30.217%0.17416%0.155CC..THydrogen-bonded Turntrans-8710.9176.200000113.5L114 I115 Y116 L120 I173 L177L114-A118 WeakPolarHBondContact O-CB 3.49Å; L114-A118 PolarHBondContact O-N 2.81Å; L114-A118 VanDerWaalsContact O-N 3.07Å; I115-A118 PolarHBondContact O-N 3.25Å; Y116-A118 PolarHBondContact O-N 3.3Å; A118-L120 PolarHBondContact O-N 2.99Å; A118-I173 HydrophobicContact CB-CG2 3.75Å; A118-L177 HydrophobicContact CB-CD1 3.68Å; A118-L177 HydrophobicContact CB-CD2 4.25Å; A118-L177 HydrophobicContact CB-CG 4.33Å
119K91.8Very high95.8Very high156 Ų15633.4 Ų33.468%0.67818%0.175SC*.THydrogen-bonded Turntrans61.226.3178.8-55.5-59.8-171.2173.30114.1I115 Y116 S117I115-K119 PolarHBondContact O-N 2.68Å; Y116-K119 PolarHBondContact O-N 3.37Å; S117-K119 VanDerWaalsContact C-N 3.26Å; S117-K119 PolarHBondContact O-N 3.48Å
120L94Very high95.6Very high3 Ų333.6 Ų33.62%0.01618%0.176CC..  trans-91.3144.3169.3-60.6-176.5000110.2I115 A118 L165 A170 I173 W174I115-L120 HydrophobicContact CG2-CB 3.73Å; I115-L120 PolarHBondContact O-N 3.38Å; I115-L120 VanDerWaalsContact O-N 3.15Å; A118-L120 PolarHBondContact O-N 2.99Å; L120-L165 HydrophobicContact CD1-CD1 4.17Å; L120-A170 HydrophobicContact CD2-CB 3.87Å; L120-I173 HydrophobicContact CD1-CB 4.31Å; L120-I173 HydrophobicContact CD1-CG2 3.82Å; L120-I173 HydrophobicContact CD2-CB 4.2Å; L120-I173 HydrophobicContact CD2-CD1 4.23Å; L120-I173 HydrophobicContact CD2-CG2 4.12Å; L120-I173 HydrophobicContact CG-CG2 3.94Å; L120-W174 HydrophobicContact CD1-CB 4.27Å
121I91.6Very high95.6Very high51 Ų5135.2 Ų35.226%0.26219%0.187SC..EExtended strand (participates in β ladder)trans-105.6133179.1-57.4173.2000108.5F63 T123 L165 T166F63-I121 HydrophobicContact CE1-CD1 3.82Å; F63-I121 HydrophobicContact CZ-CD1 4.47Å; I121-T123 HydrophobicContact CG2-CG2 4.04Å; I121-L165 CarbonylContact O-C 3.53Å; I121-L165 WeakPolarHBondContact O-CA 3.34Å; I121-T166 PolarHBondContact N-O 2.9Å; I121-T166 PolarHBondContact O-N 3.44Å
122V96.2Very high95.5Very high3 Ų341.5 Ų41.52%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-89.1107.4171.4-176.80000108F112 I115 Y116 K124 A125 M163 L165 L275F112-V122 HydrophobicContact CD1-CG2 4.12Å; F112-V122 HydrophobicContact CE1-CB 4.17Å; F112-V122 HydrophobicContact CE1-CG1 4.1Å; F112-V122 HydrophobicContact CE1-CG2 3.78Å; F112-V122 HydrophobicContact CZ-CG1 4.43Å; I115-V122 HydrophobicContact CD1-CG2 4.49Å; I115-V122 HydrophobicContact CG2-CG2 3.81Å; Y116-V122 HydrophobicContact CE1-CB 4.46Å; Y116-V122 HydrophobicContact CE1-CG2 3.93Å; V122-K124 WeakPolarHBondContact CG1-O 3.37Å; V122-A125 HydrophobicContact CG1-CB 3.96Å; V122-M163 HydrophobicContact CG1-CB 4.36Å; V122-M163 HydrophobicContact CG1-CG 4.35Å; V122-M163 HydrophobicContact CG1-SD 4.34Å; V122-L165 HydrophobicContact CG2-CD2 3.81Å; V122-L275 HydrophobicContact CG1-CD1 4.21Å; V122-L275 VanDerWaalsContact O-CD1 3.31Å; V122-L275 WeakPolarHBondContact O-CD1 3.41Å
123T93Very high95.4Very high22 Ų2244.9 Ų44.914%0.13524%0.235CC..EExtended strand (participates in β ladder)trans-96.3-22.8-176.8490000113F63 I121 E164 T166 L275F63-T123 HydrophobicContact CE2-CG2 3.97Å; F63-T123 HydrophobicContact CZ-CG2 3.75Å; I121-T123 HydrophobicContact CG2-CG2 4.04Å; T123-E164 PolarHBondContact N-O 3.07Å; T123-E164 WeakPolarHBondContact OG1-CB 3.42Å; T123-E164 VanDerWaalsContact OG1-CD 3.26Å; T123-E164 WeakPolarHBondContact OG1-CG 3.27Å; T123-E164 PolarHBondContact OG1-O 2.91Å; T123-E164 PolarHBondContact OG1-OE1 3.4Å; T123-T166 WeakPolarHBondContact CG2-OG1 3.43Å; T123-T166 PolarHBondContact OG1-OG1 3.35Å; T123-L275 WeakPolarHBondContact O-CD2 3.14Å
124K95.9Very high95.3Very high73 Ų7343.9 Ų43.932%0.31723%0.23SC..EExtended strand (participates in β ladder)trans-141.1143.1170.2-55.5-175.9-177.6175.20108.7V122 M163 E164 F224V122-K124 WeakPolarHBondContact CG1-O 3.37Å; K124-M163 CarbonylContact O-C 3.58Å; K124-M163 WeakPolarHBondContact O-CA 3.46Å; K124-E164 HydrophobicContact CB-CB 3.75Å; K124-E164 HydrophobicContact CD-CB 4.3Å; K124-E164 HydrophobicContact CG-CB 3.98Å; K124-E164 IonicContact NZ-OE2 3.97Å; K124-E164 PolarHBondContact O-N 3.13Å; K124-F224 HydrophobicContact CB-CD1 3.94Å; K124-F224 HydrophobicContact CB-CD2 4.2Å; K124-F224 HydrophobicContact CB-CE1 3.76Å; K124-F224 HydrophobicContact CB-CE2 4.03Å; K124-F224 HydrophobicContact CB-CG 4.15Å; K124-F224 HydrophobicContact CB-CZ 3.79Å; K124-F224 HydrophobicContact CD-CB 3.52Å; K124-F224 HydrophobicContact CD-CD1 3.86Å; K124-F224 HydrophobicContact CD-CD2 3.89Å; K124-F224 HydrophobicContact CD-CG 3.49Å; K124-F224 VanDerWaalsContact CD-CG 3.49Å; K124-F224 HydrophobicContact CG-CG 4.48Å; K124-F224 PolarHBondContact NZ-O 3.41Å
125A97.9Very high95.3Very high2 Ų242 Ų422%0.01722%0.22CC..EExtended strand (participates in β ladder)trans-148.6138.3170.900000109.3F112 V122 A162 M163 L273 Q274 L275F112-A125 HydrophobicContact CZ-CB 4.48Å; V122-A125 HydrophobicContact CG1-CB 3.96Å; A125-A162 CarbonylContact C-O 3.57Å; A125-A162 VanDerWaalsContact CA-O 3.28Å; A125-A162 WeakPolarHBondContact CA-O 3.35Å; A125-M163 HydrophobicContact CB-CG 3.94Å; A125-L273 HydrophobicContact CB-CD2 3.96Å; A125-Q274 CarbonylContact O-C 2.88Å; A125-Q274 VanDerWaalsContact O-CA 3.3Å; A125-Q274 WeakPolarHBondContact O-CA 3.37Å; A125-L275 HydrophobicContact CB-CB 3.99Å; A125-L275 PolarHBondContact O-N 2.91Å
126K96.9Very high95.2Very high16 Ų1642.5 Ų42.57%0.0722%0.224CC..EExtended strand (participates in β ladder)trans-151.3129.6175.8179.6171.956.4174.90110.9V161 A162 F223 F224 P232 N234 L273K126-V161 WeakPolarHBondContact O-CA 3.4Å; K126-A162 PolarHBondContact N-O 2.84Å; K126-A162 PolarHBondContact O-N 3.11Å; K126-F223 WeakPolarHBondContact CE-O 3.28Å; K126-F223 PolarHBondContact NZ-O 3.11Å; K126-F224 HydrophobicContact CB-CE1 3.76Å; K126-F224 HydrophobicContact CB-CZ 4.39Å; K126-P232 WeakPolarHBondContact CE-O 3.38Å; K126-P232 PolarHBondContact NZ-O 2.84Å; K126-N234 HydrophobicContact CD-CB 4.46Å; K126-N234 HydrophobicContact CG-CB 4.49Å; K126-L273 CarbonylContact C-O 3.13Å; K126-L273 WeakPolarHBondContact CA-O 3.22Å
127M98.3Very high95.2Very high8 Ų845.9 Ų45.94%0.03925%0.245CC..EExtended strand (participates in β ladder)trans-82.2124.8166.6-168178.6-70.900109.3P159 V160 V161 N234 T235 I270 L273M127-P159 HydrophobicContact CG-CB 4.06Å; M127-P159 HydrophobicContact SD-CB 4.31Å; M127-V160 CarbonylContact C-O 3.55Å; M127-V160 VanDerWaalsContact CA-O 3.29Å; M127-V160 WeakPolarHBondContact CA-O 3.46Å; M127-V161 HydrophobicContact CB-CG2 3.87Å; M127-V161 HydrophobicContact CE-CG2 3.78Å; M127-V161 HydrophobicContact CG-CG2 3.84Å; M127-N234 WeakPolarHBondContact O-CA 3.32Å; M127-T235 HydrophobicContact CG-CG2 3.95Å; M127-T235 WeakPolarHBondContact CG-OG1 3.45Å; M127-T235 PolarHBondContact O-N 3.2Å; M127-T235 PolarHBondContact SD-OG1 2.9Å; M127-I270 HydrophobicContact CE-CG2 4.02Å; M127-L273 HydrophobicContact CB-CB 4.18Å; M127-L273 HydrophobicContact CE-CB 4.15Å; M127-L273 PolarHBondContact N-O 3.04Å
128T96.8Very high95.1Very high0 Ų043.1 Ų43.10%022%0.222CC..EExtended strand (participates in β ladder)trans-143.4154.8-174.3-177.10000111.2V130 P159 V160 F223 P232 G233T128-V130 HydrophobicContact CG2-CG1 4.47Å; T128-P159 WeakPolarHBondContact O-CA 3.49Å; T128-V160 HydrophobicContact CG2-CG2 3.79Å; T128-V160 PolarHBondContact N-O 3.21Å; T128-V160 WeakPolarHBondContact O-CG2 3.48Å; T128-V160 PolarHBondContact O-N 2.99Å; T128-F223 HydrophobicContact CG2-CD1 3.94Å; T128-F223 HydrophobicContact CG2-CE1 3.64Å; T128-P232 HydrophobicContact CG2-CB 4.11Å; T128-P232 WeakPolarHBondContact OG1-CB 3.19Å; T128-G233 VanDerWaalsContact CB-O 3.25Å; T128-G233 WeakPolarHBondContact CB-O 3.38Å; T128-G233 PolarHBondContact OG1-O 2.97Å
129T95.4Very high95.1Very high74 Ų7442.5 Ų42.545%0.45422%0.215SC..  trans-107.8122166.3-59.90000107.7
130V95.3Very high95.1Very high6 Ų638.3 Ų38.34%0.03620%0.203CC..  trans-90.8138.9176.4-68.20000110.4T128 Q134 A135 V155 T156 F223 P232T128-V130 HydrophobicContact CG2-CG1 4.47Å; V130-Q134 HydrophobicContact CB-CB 4.24Å; V130-A135 HydrophobicContact CB-CB 4.45Å; V130-A135 HydrophobicContact CG2-CB 3.94Å; V130-V155 HydrophobicContact CG2-CG1 3.86Å; V130-T156 HydrophobicContact CG2-CG2 4.21Å; V130-F223 HydrophobicContact CG1-CE1 3.91Å; V130-F223 HydrophobicContact CG1-CZ 4.08Å; V130-P232 HydrophobicContact CG1-CB 4.15Å; V130-P232 HydrophobicContact CG1-CG 4.01Å
131T95.7Very high94.8Very high70 Ų7043.3 Ų43.343%0.42923%0.226SC..  trans-71.7166.2170.170.50000110.5S133 Q134 A135T131-S133 VanDerWaalsContact C-N 3.33Å; T131-S133 PolarHBondContact O-N 2.78Å; T131-S133 PolarHBondContact OG1-OG 3.37Å; T131-Q134 PolarHBondContact O-N 3.13Å; T131-Q134 WeakPolarHBondContact OG1-CB 3.3Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.42Å; T131-Q134 PolarHBondContact OG1-N 3.1Å; T131-Q134 PolarHBondContact OG1-OE1 2.91Å; T131-A135 WeakPolarHBondContact O-CB 2.96Å; T131-A135 PolarHBondContact O-N 3.32Å
132W95.8Very high94.8Very high133 Ų13342.5 Ų42.550%0.50422%0.221SC..Hα-helixtrans-52.4-52.3172.3-164.1116.3000111.5Q134 A135 A136 F148 I152W132-Q134 PolarHBondContact O-N 3.36Å; W132-A135 PolarHBondContact O-N 2.64Å; W132-A136 HydrophobicContact CD2-CB 4.46Å; W132-A136 HydrophobicContact CE3-CB 3.51Å; W132-A136 HydrophobicContact CH2-CB 3.33Å; W132-A136 HydrophobicContact CZ2-CB 4.34Å; W132-A136 HydrophobicContact CZ3-CB 2.88Å; W132-A136 WeakPolarHBondContact O-CB 3.05Å; W132-A136 PolarHBondContact O-N 2.91Å; W132-F148 AromaticContact CH2-CE1 3.98Å; W132-F148 HydrophobicContact CH2-CE1 3.98Å; W132-I152 HydrophobicContact CD2-CG2 3.63Å; W132-I152 VanDerWaalsContact CE2-CG2 3.43Å; W132-I152 HydrophobicContact CE3-CG2 4.29Å; W132-I152 HydrophobicContact CG-CG2 3.87Å; W132-I152 HydrophobicContact CH2-CG1 4.43Å; W132-I152 HydrophobicContact CH2-CG2 4.39Å; W132-I152 HydrophobicContact CZ2-CB 4.08Å; W132-I152 HydrophobicContact CZ2-CG1 4.16Å; W132-I152 HydrophobicContact CZ2-CG2 3.8Å
133S94.9Very high94.6Very high71 Ų7148.8 Ų48.850%0.49725%0.25SS..Hα-helixtrans-59.8-45.8-177.8590000111.6T131 A135 A136 D137T131-S133 VanDerWaalsContact C-N 3.33Å; T131-S133 PolarHBondContact O-N 2.78Å; T131-S133 PolarHBondContact OG1-OG 3.37Å; S133-A135 PolarHBondContact O-N 2.84Å; S133-A136 PolarHBondContact O-N 3.42Å; S133-D137 VanDerWaalsContact O-CG 3.26Å; S133-D137 PolarHBondContact O-N 3.03Å
134Q95.3Very high94.7Very high51 Ų5152.6 Ų52.624%0.23828%0.278CS..Hα-helixtrans-58.7-47.5176.4-78.3173.6-20.700112.2V130 T131 W132 A136 D137 F138 F222V130-Q134 HydrophobicContact CB-CB 4.24Å; T131-Q134 PolarHBondContact O-N 3.13Å; T131-Q134 WeakPolarHBondContact OG1-CB 3.3Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.42Å; T131-Q134 PolarHBondContact OG1-N 3.1Å; T131-Q134 PolarHBondContact OG1-OE1 2.91Å; W132-Q134 PolarHBondContact O-N 3.36Å; Q134-A136 VanDerWaalsContact C-N 3.31Å; Q134-A136 PolarHBondContact O-N 3.4Å; Q134-D137 PolarHBondContact O-N 2.69Å; Q134-F138 VanDerWaalsContact O-CB 3.32Å; Q134-F138 WeakPolarHBondContact O-CB 3.42Å; Q134-F138 PolarHBondContact O-N 2.86Å; Q134-F222 HydrophobicContact CB-CZ 3.87Å; Q134-F222 HydrophobicContact CG-CZ 4.23Å; Q134-F222 WeakPolarHBondContact O-CZ 3.41Å
135A95.8Very high94.6Very high1 Ų154 Ų541%0.00828%0.284CS..Hα-helixtrans-65.3-35.8179.900000112.1V130 T131 W132 S133 F138 Y139 I152 T156V130-A135 HydrophobicContact CB-CB 4.45Å; V130-A135 HydrophobicContact CG2-CB 3.94Å; T131-A135 WeakPolarHBondContact O-CB 2.96Å; T131-A135 PolarHBondContact O-N 3.32Å; W132-A135 PolarHBondContact O-N 2.64Å; S133-A135 PolarHBondContact O-N 2.84Å; A135-F138 PolarHBondContact O-N 3.28Å; A135-Y139 VanDerWaalsContact O-CD2 3.3Å; A135-Y139 WeakPolarHBondContact O-CD2 3.29Å; A135-Y139 PolarHBondContact O-N 2.87Å; A135-I152 HydrophobicContact CB-CD1 4.2Å; A135-I152 HydrophobicContact CB-CG2 3.88Å; A135-I152 VanDerWaalsContact O-CD1 3.32Å; A135-I152 WeakPolarHBondContact O-CD1 3.43Å; A135-T156 HydrophobicContact CB-CG2 3.59Å
136A95.3Very high94.4Very high10 Ų1060 Ų608%0.08332%0.323CS..Hα-helixtrans-74.2-37.7178.300000114W132 S133 Q134 F138 Y139 V140 F148 I152W132-A136 HydrophobicContact CD2-CB 4.46Å; W132-A136 HydrophobicContact CE3-CB 3.51Å; W132-A136 HydrophobicContact CH2-CB 3.33Å; W132-A136 HydrophobicContact CZ2-CB 4.34Å; W132-A136 HydrophobicContact CZ3-CB 2.88Å; W132-A136 WeakPolarHBondContact O-CB 3.05Å; W132-A136 PolarHBondContact O-N 2.91Å; S133-A136 PolarHBondContact O-N 3.42Å; Q134-A136 VanDerWaalsContact C-N 3.31Å; Q134-A136 PolarHBondContact O-N 3.4Å; A136-F138 VanDerWaalsContact C-N 3.27Å; A136-Y139 CarbonylContact O-C 3.49Å; A136-Y139 PolarHBondContact O-N 3.48Å; A136-V140 WeakPolarHBondContact O-CA 3.41Å; A136-V140 PolarHBondContact O-N 3.31Å; A136-F148 HydrophobicContact CB-CE1 4.41Å; A136-F148 HydrophobicContact CB-CZ 3.86Å; A136-I152 HydrophobicContact CB-CD1 4.39Å; A136-I152 HydrophobicContact CB-CG1 4.31Å
137D93.3Very high94.1Very high109 Ų10963.3 Ų63.358%0.58334%0.337SS*.Hα-helixtrans-61.2-42.2170-68.2-22.5000110S133 Q134 V140S133-D137 VanDerWaalsContact O-CG 3.26Å; S133-D137 PolarHBondContact O-N 3.03Å; Q134-D137 PolarHBondContact O-N 2.69Å; D137-V140 WeakPolarHBondContact O-CB 3Å; D137-V140 WeakPolarHBondContact O-CG1 3.4Å; D137-V140 PolarHBondContact O-N 3.12Å
138F93.9Very high94Very high26 Ų2663.7 Ų63.711%0.11434%0.339CS..Hα-helixtrans-61.6-44.8176.9-179.6-98.7000112.8F97 Q134 A135 A136 H208 E219 F222 F223F97-F138 HydrophobicContact CD1-CE2 4.47Å; F97-F138 HydrophobicContact CD1-CZ 4.11Å; F97-F138 AromaticContact CE1-CE2 3.89Å; F97-F138 HydrophobicContact CE1-CE2 3.89Å; F97-F138 AromaticContact CE1-CZ 3.48Å; F97-F138 HydrophobicContact CE1-CZ 3.48Å; F97-F138 VanDerWaalsContact CE1-CZ 3.48Å; F97-F138 HydrophobicContact CZ-CE2 4.25Å; F97-F138 HydrophobicContact CZ-CZ 4.2Å; Q134-F138 VanDerWaalsContact O-CB 3.32Å; Q134-F138 WeakPolarHBondContact O-CB 3.42Å; Q134-F138 PolarHBondContact O-N 2.86Å; A135-F138 PolarHBondContact O-N 3.28Å; A136-F138 VanDerWaalsContact C-N 3.27Å; F138-H208 AromaticContact CZ-CD2 3.96Å; F138-H208 AromaticContact CZ-NE2 3.95Å; F138-E219 HydrophobicContact CD2-CG 4.43Å; F138-E219 HydrophobicContact CE2-CB 3.72Å; F138-E219 HydrophobicContact CE2-CG 3.49Å; F138-E219 VanDerWaalsContact CE2-CG 3.49Å; F138-E219 HydrophobicContact CZ-CB 4.3Å; F138-E219 HydrophobicContact CZ-CG 3.85Å; F138-F222 HydrophobicContact CB-CE1 4.3Å; F138-F222 HydrophobicContact CB-CZ 4.28Å; F138-F222 HydrophobicContact CD2-CD1 4.02Å; F138-F222 HydrophobicContact CD2-CE1 4.35Å; F138-F222 HydrophobicContact CD2-CG 4.37Å; F138-F223 HydrophobicContact CD2-CD2 4.34Å; F138-F223 AromaticContact CD2-CE2 3.62Å; F138-F223 HydrophobicContact CD2-CE2 3.62Å; F138-F223 HydrophobicContact CE2-CD2 4.05Å; F138-F223 AromaticContact CE2-CE2 3.47Å; F138-F223 HydrophobicContact CE2-CE2 3.47Å; F138-F223 VanDerWaalsContact CE2-CE2 3.47Å; F138-F223 HydrophobicContact CG-CE2 4.3Å; F138-F223 HydrophobicContact CZ-CE2 4.06Å
139Y93.4Very high93.9Very high7 Ų768.7 Ų68.73%0.02737%0.366CS..THydrogen-bonded Turntrans-95.323.1179.4-69.6-69.7000113.9A135 A136 E141 H142 F148 L151 I152 V155 H208A135-Y139 VanDerWaalsContact O-CD2 3.3Å; A135-Y139 WeakPolarHBondContact O-CD2 3.29Å; A135-Y139 PolarHBondContact O-N 2.87Å; A136-Y139 CarbonylContact O-C 3.49Å; A136-Y139 PolarHBondContact O-N 3.48Å; Y139-E141 PolarHBondContact O-N 3.23Å; Y139-H142 AromaticContact CD1-CD2 3.77Å; Y139-H142 WeakPolarHBondContact O-CA 3.33Å; Y139-H142 WeakPolarHBondContact O-CB 3.49Å; Y139-H142 PolarHBondContact O-N 3.39Å; Y139-F148 VanDerWaalsContact O-CE2 3.27Å; Y139-F148 WeakPolarHBondContact O-CE2 3.39Å; Y139-L151 HydrophobicContact CD1-CD2 3.8Å; Y139-L151 HydrophobicContact CD2-CD2 4.11Å; Y139-L151 HydrophobicContact CD2-CG 4.29Å; Y139-L151 HydrophobicContact CE1-CD2 4.01Å; Y139-L151 HydrophobicContact CE2-CD2 4.34Å; Y139-L151 HydrophobicContact CE2-CG 4.3Å; Y139-L151 HydrophobicContact CG-CD2 3.85Å; Y139-I152 HydrophobicContact CD2-CD1 3.69Å; Y139-I152 HydrophobicContact CG-CD1 4.25Å; Y139-V155 HydrophobicContact CE2-CB 4.38Å; Y139-V155 HydrophobicContact CE2-CG1 4.25Å; Y139-V155 HydrophobicContact CE2-CG2 3.93Å; Y139-H208 AromaticContact CE1-ND1 3.96Å
140V92.1Very high94Very high68 Ų6869.5 Ų69.541%0.41237%0.367SS..G310 helixtrans-55-30.8-172.468.10000113.7A136 D137 H142 Q143A136-V140 WeakPolarHBondContact O-CA 3.41Å; A136-V140 PolarHBondContact O-N 3.31Å; D137-V140 WeakPolarHBondContact O-CB 3Å; D137-V140 WeakPolarHBondContact O-CG1 3.4Å; D137-V140 PolarHBondContact O-N 3.12Å; V140-H142 PolarHBondContact O-N 3.04Å; V140-H142 VanDerWaalsContact O-N 3.15Å; V140-Q143 VanDerWaalsContact O-CB 3.3Å; V140-Q143 WeakPolarHBondContact O-CB 3.42Å; V140-Q143 WeakPolarHBondContact O-CG 3.31Å; V140-Q143 PolarHBondContact O-N 3.2Å
141E88.9Confident94Very high108 Ų10869.7 Ų69.751%0.50537%0.368SS..G310 helixtrans-62.7-20.8176.1-63.4-175.8163.300113Y139 R218Y139-E141 PolarHBondContact O-N 3.23Å; E141-R218 IonicContact OE1-CZ 2.82Å; E141-R218 IonicContact OE1-NH2 3.28Å; E141-R218 PolarHBondContact OE1-NH2 3.15Å
142H90.6Very high94Very high35 Ų3566.3 Ų66.316%0.16235%0.347CS..G310 helixtrans-99.13.4177.4-57.3-30000113.7Y139 V140 S144 K145 F147 F148Y139-H142 AromaticContact CD1-CD2 3.77Å; Y139-H142 WeakPolarHBondContact O-CA 3.33Å; Y139-H142 WeakPolarHBondContact O-CB 3.49Å; Y139-H142 PolarHBondContact O-N 3.39Å; V140-H142 PolarHBondContact O-N 3.04Å; V140-H142 VanDerWaalsContact O-N 3.15Å; H142-S144 PolarHBondContact O-N 2.99Å; H142-K145 HydrophobicContact CB-CG 4.18Å; H142-K145 VanDerWaalsContact O-CB 3.26Å; H142-K145 WeakPolarHBondContact O-CB 3.26Å; H142-K145 WeakPolarHBondContact O-CG 3.44Å; H142-K145 PolarHBondContact O-N 2.78Å; H142-F147 HydrophobicContact CB-CE2 4.41Å; H142-F148 HydrophobicContact CB-CD2 4Å; H142-F148 WeakPolarHBondContact O-CB 3.47Å; H142-F148 WeakPolarHBondContact O-CD2 3.43Å
143Q93Very high94.1Very high134 Ų13466.2 Ų66.263%0.62635%0.352SS*.THydrogen-bonded Turntrans-55.2-29.2-174.369.7-177.9-24.400114.6V140 K145 F148V140-Q143 VanDerWaalsContact O-CB 3.3Å; V140-Q143 WeakPolarHBondContact O-CB 3.42Å; V140-Q143 WeakPolarHBondContact O-CG 3.31Å; V140-Q143 PolarHBondContact O-N 3.2Å; Q143-K145 VanDerWaalsContact C-N 3.35Å; Q143-F148 HydrophobicContact CB-CE1 4.39Å; Q143-F148 HydrophobicContact CB-CE2 4.41Å; Q143-F148 HydrophobicContact CB-CZ 4.27Å
144S93.9Very high94.2Very high103 Ų10363.8 Ų63.872%0.7233%0.333SS*.THydrogen-bonded Turntrans-86.5-4.2179.761.40000113.7H142H142-S144 PolarHBondContact O-N 2.99Å
145K93.6Very high94.2Very high103 Ų10361.5 Ų61.545%0.44832%0.323SS..SBendtrans-84.4140.6-177.7-58-64-175.4178.70110.5H142 Q143 F147 F148H142-K145 HydrophobicContact CB-CG 4.18Å; H142-K145 VanDerWaalsContact O-CB 3.26Å; H142-K145 WeakPolarHBondContact O-CB 3.26Å; H142-K145 WeakPolarHBondContact O-CG 3.44Å; H142-K145 PolarHBondContact O-N 2.78Å; Q143-K145 VanDerWaalsContact C-N 3.35Å; K145-F147 HydrophobicContact CB-CD1 3.93Å; K145-F147 HydrophobicContact CB-CD2 4.36Å; K145-F147 HydrophobicContact CB-CE1 3.56Å; K145-F147 HydrophobicContact CB-CE2 4.02Å; K145-F147 HydrophobicContact CB-CG 4.32Å; K145-F147 HydrophobicContact CB-CZ 3.61Å; K145-F147 HydrophobicContact CD-CE1 4.31Å; K145-F147 HydrophobicContact CD-CZ 4.46Å; K145-F147 HydrophobicContact CG-CE1 3.95Å; K145-F147 HydrophobicContact CG-CE2 4.43Å; K145-F147 HydrophobicContact CG-CZ 3.75Å; K145-F147 PolarHBondContact O-N 3.28Å; K145-F147 VanDerWaalsContact O-N 3.09Å; K145-F148 VanDerWaalsContact O-CB 3.26Å; K145-F148 WeakPolarHBondContact O-CB 3.44Å; K145-F148 PolarHBondContact O-N 2.85Å
146P93.6Very high94.2Very high128 Ų12863.2 Ų63.283%0.83133%0.333SS*.THydrogen-bonded Turntrans-63.4-21.2-177.325.5-34.8000113.6
147F92.1Very high94.3Very high84 Ų8466.8 Ų66.837%0.36836%0.357SS..THydrogen-bonded Turntrans-88.2-4178.360.3-103.1000114.2H142 K145 N149 N150 L151 I203H142-F147 HydrophobicContact CB-CE2 4.41Å; K145-F147 HydrophobicContact CB-CD1 3.93Å; K145-F147 HydrophobicContact CB-CD2 4.36Å; K145-F147 HydrophobicContact CB-CE1 3.56Å; K145-F147 HydrophobicContact CB-CE2 4.02Å; K145-F147 HydrophobicContact CB-CG 4.32Å; K145-F147 HydrophobicContact CB-CZ 3.61Å; K145-F147 HydrophobicContact CD-CE1 4.31Å; K145-F147 HydrophobicContact CD-CZ 4.46Å; K145-F147 HydrophobicContact CG-CE1 3.95Å; K145-F147 HydrophobicContact CG-CE2 4.43Å; K145-F147 HydrophobicContact CG-CZ 3.75Å; K145-F147 PolarHBondContact O-N 3.28Å; K145-F147 VanDerWaalsContact O-N 3.09Å; F147-N149 PolarHBondContact O-N 2.93Å; F147-N150 PolarHBondContact O-N 3.43Å; F147-L151 HydrophobicContact CD2-CB 4.46Å; F147-L151 HydrophobicContact CE2-CD2 4.41Å; F147-L151 PolarHBondContact O-N 2.77Å; F147-I203 HydrophobicContact CB-CD1 4.18Å
148F94.8Very high94.4Very high17 Ų1762.4 Ų62.48%0.07534%0.338CS..Hα-helixtrans-55.6-53.3-171.2179.3-108.4000113W132 A136 Y139 H142 Q143 K145 N150 L151 I152W132-F148 AromaticContact CH2-CE1 3.98Å; W132-F148 HydrophobicContact CH2-CE1 3.98Å; A136-F148 HydrophobicContact CB-CE1 4.41Å; A136-F148 HydrophobicContact CB-CZ 3.86Å; Y139-F148 VanDerWaalsContact O-CE2 3.27Å; Y139-F148 WeakPolarHBondContact O-CE2 3.39Å; H142-F148 HydrophobicContact CB-CD2 4Å; H142-F148 WeakPolarHBondContact O-CB 3.47Å; H142-F148 WeakPolarHBondContact O-CD2 3.43Å; Q143-F148 HydrophobicContact CB-CE1 4.39Å; Q143-F148 HydrophobicContact CB-CE2 4.41Å; Q143-F148 HydrophobicContact CB-CZ 4.27Å; K145-F148 VanDerWaalsContact O-CB 3.26Å; K145-F148 WeakPolarHBondContact O-CB 3.44Å; K145-F148 PolarHBondContact O-N 2.85Å; F148-N150 VanDerWaalsContact C-N 3.28Å; F148-N150 PolarHBondContact O-N 3.44Å; F148-L151 WeakPolarHBondContact O-CA 3.31Å; F148-L151 WeakPolarHBondContact O-CB 3.42Å; F148-L151 PolarHBondContact O-N 3.38Å; F148-I152 HydrophobicContact CD1-CG1 4.34Å; F148-I152 HydrophobicContact CD2-CD1 4.34Å; F148-I152 HydrophobicContact CD2-CG1 4.3Å; F148-I152 HydrophobicContact CE1-CG1 4.01Å; F148-I152 HydrophobicContact CE2-CD1 3.81Å; F148-I152 HydrophobicContact CE2-CG1 3.96Å; F148-I152 HydrophobicContact CG-CG1 4.49Å; F148-I152 HydrophobicContact CZ-CD1 4.01Å; F148-I152 HydrophobicContact CZ-CG1 3.82Å; F148-I152 WeakPolarHBondContact O-CG1 3.5Å; F148-I152 PolarHBondContact O-N 3.35Å
149N96.3Very high94.6Very high105 Ų10563.3 Ų63.356%0.56135%0.346SS*.Hα-helixtrans-60.1-38.8-178.7-69.9-19.2000112.5F147 I152 Q153F147-N149 PolarHBondContact O-N 2.93Å; N149-I152 PolarHBondContact O-N 2.87Å; N149-Q153 VanDerWaalsContact O-CB 3.31Å; N149-Q153 WeakPolarHBondContact O-CB 3.36Å; N149-Q153 PolarHBondContact O-N 3.48Å
150N96.3Very high94.8Very high91 Ų9163 Ų6349%0.48735%0.345SS..Hα-helixtrans-68.7-36.3177.1-66.5-14.5000111.5F147 F148 F154 I203F147-N150 PolarHBondContact O-N 3.43Å; F148-N150 VanDerWaalsContact C-N 3.28Å; F148-N150 PolarHBondContact O-N 3.44Å; N150-F154 VanDerWaalsContact O-CB 3.23Å; N150-F154 WeakPolarHBondContact O-CB 3.4Å; N150-F154 PolarHBondContact O-N 3.48Å; N150-I203 HydrophobicContact CB-CD1 3.59Å
151L95.1Very high95.1Very high9 Ų959.8 Ų59.85%0.04733%0.326CS..Hα-helixtrans-63.9-47.4174.1174.864.3000111.2Y139 F147 F148 F154 V155 I203Y139-L151 HydrophobicContact CD1-CD2 3.8Å; Y139-L151 HydrophobicContact CD2-CD2 4.11Å; Y139-L151 HydrophobicContact CD2-CG 4.29Å; Y139-L151 HydrophobicContact CE1-CD2 4.01Å; Y139-L151 HydrophobicContact CE2-CD2 4.34Å; Y139-L151 HydrophobicContact CE2-CG 4.3Å; Y139-L151 HydrophobicContact CG-CD2 3.85Å; F147-L151 HydrophobicContact CD2-CB 4.46Å; F147-L151 HydrophobicContact CE2-CD2 4.41Å; F147-L151 PolarHBondContact O-N 2.77Å; F148-L151 WeakPolarHBondContact O-CA 3.31Å; F148-L151 WeakPolarHBondContact O-CB 3.42Å; F148-L151 PolarHBondContact O-N 3.38Å; L151-F154 PolarHBondContact O-N 3.02Å; L151-V155 HydrophobicContact CD1-CG2 3.95Å; L151-V155 WeakPolarHBondContact O-CG2 3.5Å; L151-V155 PolarHBondContact O-N 3.22Å; L151-I203 HydrophobicContact CD1-CG2 4.19Å
152I97.2Very high95.6Very high0 Ų054.6 Ų54.60%030%0.302CS..Hα-helixtrans-63.2-47.8178.3-57.7-44.1000110.7W132 A135 A136 Y139 F148 N149 F154 V155 T156W132-I152 HydrophobicContact CD2-CG2 3.63Å; W132-I152 VanDerWaalsContact CE2-CG2 3.43Å; W132-I152 HydrophobicContact CE3-CG2 4.29Å; W132-I152 HydrophobicContact CG-CG2 3.87Å; W132-I152 HydrophobicContact CH2-CG1 4.43Å; W132-I152 HydrophobicContact CH2-CG2 4.39Å; W132-I152 HydrophobicContact CZ2-CB 4.08Å; W132-I152 HydrophobicContact CZ2-CG1 4.16Å; W132-I152 HydrophobicContact CZ2-CG2 3.8Å; A135-I152 HydrophobicContact CB-CD1 4.2Å; A135-I152 HydrophobicContact CB-CG2 3.88Å; A135-I152 VanDerWaalsContact O-CD1 3.32Å; A135-I152 WeakPolarHBondContact O-CD1 3.43Å; A136-I152 HydrophobicContact CB-CD1 4.39Å; A136-I152 HydrophobicContact CB-CG1 4.31Å; Y139-I152 HydrophobicContact CD2-CD1 3.69Å; Y139-I152 HydrophobicContact CG-CD1 4.25Å; F148-I152 HydrophobicContact CD1-CG1 4.34Å; F148-I152 HydrophobicContact CD2-CD1 4.34Å; F148-I152 HydrophobicContact CD2-CG1 4.3Å; F148-I152 HydrophobicContact CE1-CG1 4.01Å; F148-I152 HydrophobicContact CE2-CD1 3.81Å; F148-I152 HydrophobicContact CE2-CG1 3.96Å; F148-I152 HydrophobicContact CG-CG1 4.49Å; F148-I152 HydrophobicContact CZ-CD1 4.01Å; F148-I152 HydrophobicContact CZ-CG1 3.82Å; F148-I152 WeakPolarHBondContact O-CG1 3.5Å; F148-I152 PolarHBondContact O-N 3.35Å; N149-I152 PolarHBondContact O-N 2.87Å; I152-F154 PolarHBondContact O-N 3.36Å; I152-V155 PolarHBondContact O-N 2.91Å; I152-T156 HydrophobicContact CG2-CG2 4.16Å; I152-T156 WeakPolarHBondContact O-CB 3.24Å; I152-T156 WeakPolarHBondContact O-CG2 3.46Å; I152-T156 PolarHBondContact O-N 3.45Å; I152-T156 PolarHBondContact O-OG1 3.44Å
153Q96.9Very high95.9Very high130 Ų13053 Ų5361%0.60729%0.294SS*.Hα-helixtrans-57.1-39.7176.6-175.6179.58.800111.8N149 T156 S157N149-Q153 VanDerWaalsContact O-CB 3.31Å; N149-Q153 WeakPolarHBondContact O-CB 3.36Å; N149-Q153 PolarHBondContact O-N 3.48Å; Q153-T156 PolarHBondContact O-OG1 2.84Å; Q153-S157 PolarHBondContact O-N 2.74Å
154F96.4Very high96.2Very high21 Ų2147 Ų479%0.09227%0.266CS..Hα-helixtrans-69.5-50.2178.7172.4-125000112.6K101 D103 N150 L151 I152 T156 S157 I203 R204K101-F154 HydrophobicContact CB-CE1 4.07Å; K101-F154 HydrophobicContact CB-CZ 4.26Å; K101-F154 HydrophobicContact CD-CD1 4.4Å; K101-F154 HydrophobicContact CD-CE1 3.72Å; K101-F154 HydrophobicContact CG-CE1 4.46Å; D103-F154 HydrophobicContact CB-CE2 4.12Å; D103-F154 HydrophobicContact CB-CZ 3.89Å; D103-F154 WeakPolarHBondContact OD1-CZ 3.27Å; N150-F154 VanDerWaalsContact O-CB 3.23Å; N150-F154 WeakPolarHBondContact O-CB 3.4Å; N150-F154 PolarHBondContact O-N 3.48Å; L151-F154 PolarHBondContact O-N 3.02Å; I152-F154 PolarHBondContact O-N 3.36Å; F154-T156 PolarHBondContact O-N 2.97Å; F154-S157 VanDerWaalsContact O-CB 3.3Å; F154-S157 WeakPolarHBondContact O-CB 3.5Å; F154-S157 PolarHBondContact O-N 3.43Å; F154-S157 PolarHBondContact O-OG 3.23Å; F154-I203 HydrophobicContact CB-CG2 3.93Å; F154-I203 HydrophobicContact CD1-CG2 3.59Å; F154-I203 HydrophobicContact CE1-CG2 4.45Å; F154-I203 HydrophobicContact CG-CG2 4.02Å; F154-R204 HydrophobicContact CD1-CG 4.29Å; F154-R204 HydrophobicContact CD2-CG 4.27Å; F154-R204 HydrophobicContact CE1-CB 4.3Å; F154-R204 HydrophobicContact CE1-CG 3.86Å; F154-R204 HydrophobicContact CE2-CG 3.9Å; F154-R204 HydrophobicContact CG-CG 4.46Å; F154-R204 HydrophobicContact CZ-CB 4.22Å; F154-R204 HydrophobicContact CZ-CG 3.68Å
155V95.7Very high96.3Very high3 Ų342.1 Ų42.12%0.01823%0.232CC..Hα-helixtrans-65.7-26.3-177.41740000111.7V130 Y139 L151 I152 V160V130-V155 HydrophobicContact CG2-CG1 3.86Å; Y139-V155 HydrophobicContact CE2-CB 4.38Å; Y139-V155 HydrophobicContact CE2-CG1 4.25Å; Y139-V155 HydrophobicContact CE2-CG2 3.93Å; L151-V155 HydrophobicContact CD1-CG2 3.95Å; L151-V155 WeakPolarHBondContact O-CG2 3.5Å; L151-V155 PolarHBondContact O-N 3.22Å; I152-V155 PolarHBondContact O-N 2.91Å; V155-V160 HydrophobicContact CG1-CG1 4.12Å
156T96.8Very high96.3Very high37 Ų3737.2 Ų37.223%0.22721%0.211CC..THydrogen-bonded Turntrans-89.2-1.8176.558.60000113.8V130 A135 I152 Q153 F154 G158V130-T156 HydrophobicContact CG2-CG2 4.21Å; A135-T156 HydrophobicContact CB-CG2 3.59Å; I152-T156 HydrophobicContact CG2-CG2 4.16Å; I152-T156 WeakPolarHBondContact O-CB 3.24Å; I152-T156 WeakPolarHBondContact O-CG2 3.46Å; I152-T156 PolarHBondContact O-N 3.45Å; I152-T156 PolarHBondContact O-OG1 3.44Å; Q153-T156 PolarHBondContact O-OG1 2.84Å; F154-T156 PolarHBondContact O-N 2.97Å; T156-G158 PolarHBondContact O-N 3Å
157S96.8Very high96.1Very high84 Ų8431.6 Ų31.659%0.58718%0.175SC*.SBendtrans-74.9-11.7-177.969.30000114.2Q153 F154Q153-S157 PolarHBondContact O-N 2.74Å; F154-S157 VanDerWaalsContact O-CB 3.3Å; F154-S157 WeakPolarHBondContact O-CB 3.5Å; F154-S157 PolarHBondContact O-N 3.43Å; F154-S157 PolarHBondContact O-OG 3.23Å
158G95.9Very high95.7Very high17 Ų1731.2 Ų31.218%0.17518%0.177CC..SBendtrans-173.9-175.2-178.900000111.5T156T156-G158 PolarHBondContact O-N 3Å
159P97.5Very high95.4Very high46 Ų4635.8 Ų35.830%0.29920%0.199SC..  trans-68154.5-179.723.9-27.4000111.9P102 L105 M127 T128 T235P102-P159 VanDerWaalsContact CA-O 3.27Å; P102-P159 WeakPolarHBondContact CA-O 3.3Å; P102-P159 WeakPolarHBondContact CB-O 3.31Å; P102-P159 WeakPolarHBondContact CG-O 3.21Å; L105-P159 HydrophobicContact CD1-CB 3.97Å; L105-P159 HydrophobicContact CD1-CG 3.57Å; L105-P159 VanDerWaalsContact CD1-O 3.26Å; L105-P159 WeakPolarHBondContact CD1-O 3.37Å; M127-P159 HydrophobicContact CG-CB 4.06Å; M127-P159 HydrophobicContact SD-CB 4.31Å; T128-P159 WeakPolarHBondContact O-CA 3.49Å; P159-T235 HydrophobicContact CB-CG2 3.86Å
160V98.1Very high95.3Very high0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-127.2157.7172.9-67.40000109.4L99 V100 P102 M127 T128 V155L99-V160 HydrophobicContact CD1-CB 3.83Å; L99-V160 HydrophobicContact CD1-CG2 3.75Å; L99-V160 HydrophobicContact CG-CB 4.18Å; L99-V160 HydrophobicContact CG-CG2 4.49Å; V100-V160 WeakPolarHBondContact O-CA 3.38Å; V100-V160 WeakPolarHBondContact O-CB 3.1Å; P102-V160 HydrophobicContact CG-CG1 3.78Å; M127-V160 CarbonylContact C-O 3.55Å; M127-V160 VanDerWaalsContact CA-O 3.29Å; M127-V160 WeakPolarHBondContact CA-O 3.46Å; T128-V160 HydrophobicContact CG2-CG2 3.79Å; T128-V160 PolarHBondContact N-O 3.21Å; T128-V160 WeakPolarHBondContact O-CG2 3.48Å; T128-V160 PolarHBondContact O-N 2.99Å; V155-V160 HydrophobicContact CG1-CG1 4.12Å
161V98.5Very high95.2Very high0 Ų027.3 Ų27.30%015%0.153CC..EExtended strand (participates in β ladder)trans-115.3109.7172.2177.70000109.9L99 V100 L105 I108 K126 M127 M163 L273L99-V161 CarbonylContact C-O 3.51Å; L99-V161 WeakPolarHBondContact CA-O 3.4Å; V100-V161 HydrophobicContact CB-CB 4.19Å; V100-V161 HydrophobicContact CG2-CB 4.39Å; V100-V161 PolarHBondContact N-O 3.32Å; V100-V161 PolarHBondContact O-N 2.92Å; V100-V161 VanDerWaalsContact O-N 3.08Å; L105-V161 HydrophobicContact CD2-CB 4.4Å; L105-V161 HydrophobicContact CD2-CG2 3.78Å; I108-V161 HydrophobicContact CD1-CB 3.91Å; I108-V161 HydrophobicContact CD1-CG1 3.88Å; I108-V161 HydrophobicContact CD1-CG2 3.58Å; K126-V161 WeakPolarHBondContact O-CA 3.4Å; M127-V161 HydrophobicContact CB-CG2 3.87Å; M127-V161 HydrophobicContact CE-CG2 3.78Å; M127-V161 HydrophobicContact CG-CG2 3.84Å; V161-M163 HydrophobicContact CG1-CG 4.03Å; V161-M163 HydrophobicContact CG1-SD 4.42Å; V161-L273 HydrophobicContact CG1-CD2 4.4Å
162A98.2Very high95.1Very high0 Ų029.7 Ų29.70%017%0.171CC..EExtended strand (participates in β ladder)trans-84.3140.7173.500000109.7F97 A98 L99 A125 K126 F223 F224F97-A162 HydrophobicContact CE2-CB 3.86Å; F97-A162 HydrophobicContact CZ-CB 4.05Å; A98-A162 CarbonylContact O-C 3.58Å; A98-A162 WeakPolarHBondContact O-CA 3.5Å; L99-A162 HydrophobicContact CD1-CB 3.9Å; A125-A162 CarbonylContact C-O 3.57Å; A125-A162 VanDerWaalsContact CA-O 3.28Å; A125-A162 WeakPolarHBondContact CA-O 3.35Å; K126-A162 PolarHBondContact N-O 2.84Å; K126-A162 PolarHBondContact O-N 3.11Å; A162-F223 HydrophobicContact CB-CB 4.01Å; A162-F223 HydrophobicContact CB-CD1 3.48Å; A162-F223 VanDerWaalsContact CB-CD1 3.48Å; A162-F223 HydrophobicContact CB-CD2 4.32Å; A162-F223 HydrophobicContact CB-CE1 3.98Å; A162-F223 HydrophobicContact CB-CG 3.67Å; A162-F224 HydrophobicContact CB-CE2 4.23Å; A162-F224 HydrophobicContact CB-CZ 4.01Å; A162-F224 WeakPolarHBondContact O-CZ 3.3Å
163M98.4Very high95Very high0 Ų032 Ų320%018%0.183CC..EExtended strand (participates in β ladder)trans-141.7143.3179.2-61179.6-66.500111.8A98 V100 I111 F112 I115 V122 K124 A125 V161 L165A98-M163 HydrophobicContact CB-CB 4.3Å; A98-M163 HydrophobicContact CB-CE 4.09Å; A98-M163 PolarHBondContact N-O 3.38Å; A98-M163 PolarHBondContact O-N 3.38Å; V100-M163 HydrophobicContact CG2-CE 3.73Å; I111-M163 HydrophobicContact CG2-CE 4.41Å; F112-M163 HydrophobicContact CE1-SD 4.46Å; F112-M163 HydrophobicContact CE2-SD 3.94Å; F112-M163 HydrophobicContact CZ-SD 3.82Å; I115-M163 HydrophobicContact CD1-CE 3.74Å; I115-M163 HydrophobicContact CD1-SD 4.27Å; V122-M163 HydrophobicContact CG1-CB 4.36Å; V122-M163 HydrophobicContact CG1-CG 4.35Å; V122-M163 HydrophobicContact CG1-SD 4.34Å; K124-M163 CarbonylContact O-C 3.58Å; K124-M163 WeakPolarHBondContact O-CA 3.46Å; A125-M163 HydrophobicContact CB-CG 3.94Å; V161-M163 HydrophobicContact CG1-CG 4.03Å; V161-M163 HydrophobicContact CG1-SD 4.42Å; M163-L165 HydrophobicContact CB-CD2 4.11Å
164E97.8Very high95.1Very high9 Ų925.9 Ų25.94%0.04215%0.154CC..EExtended strand (participates in β ladder)trans-93.7119.7162-174.3-179.698.700107.8K95 T123 K124 L220K95-E164 HydrophobicContact CD-CG 4.38Å; K95-E164 IonicContact NZ-OE1 3.71Å; K95-E164 PolarHBondContact NZ-OE1 3.41Å; K95-E164 IonicContact NZ-OE2 3.95Å; T123-E164 PolarHBondContact N-O 3.07Å; T123-E164 WeakPolarHBondContact OG1-CB 3.42Å; T123-E164 VanDerWaalsContact OG1-CD 3.26Å; T123-E164 WeakPolarHBondContact OG1-CG 3.27Å; T123-E164 PolarHBondContact OG1-O 2.91Å; T123-E164 PolarHBondContact OG1-OE1 3.4Å; K124-E164 HydrophobicContact CB-CB 3.75Å; K124-E164 HydrophobicContact CD-CB 4.3Å; K124-E164 HydrophobicContact CG-CB 3.98Å; K124-E164 IonicContact NZ-OE2 3.97Å; K124-E164 PolarHBondContact O-N 3.13Å; E164-L220 HydrophobicContact CB-CD2 3.49Å; E164-L220 VanDerWaalsContact CB-CD2 3.49Å; E164-L220 HydrophobicContact CG-CD1 4.07Å; E164-L220 HydrophobicContact CG-CD2 3.57Å
165L97.1Very high95.1Very high0 Ų031.1 Ų31.10%017%0.173CC..EExtended strand (participates in β ladder)trans-104.7133.4174.4-51.6-175.2000109.2K95 T96 A98 I115 L120 I121 V122 M163 W174K95-L165 WeakPolarHBondContact CA-O 3.48Å; T96-L165 HydrophobicContact CG2-CB 3.84Å; T96-L165 HydrophobicContact CG2-CD1 4.42Å; T96-L165 HydrophobicContact CG2-CG 4.5Å; T96-L165 PolarHBondContact N-O 2.94Å; T96-L165 PolarHBondContact O-N 2.93Å; A98-L165 HydrophobicContact CB-CD1 3.71Å; A98-L165 HydrophobicContact CB-CG 3.92Å; I115-L165 HydrophobicContact CD1-CD1 4.37Å; I115-L165 HydrophobicContact CD1-CD2 3.99Å; I115-L165 HydrophobicContact CG1-CD1 4.44Å; I115-L165 HydrophobicContact CG2-CD2 4.01Å; L120-L165 HydrophobicContact CD1-CD1 4.17Å; I121-L165 CarbonylContact O-C 3.53Å; I121-L165 WeakPolarHBondContact O-CA 3.34Å; V122-L165 HydrophobicContact CG2-CD2 3.81Å; M163-L165 HydrophobicContact CB-CD2 4.11Å; L165-W174 HydrophobicContact CD1-CB 4.26Å; L165-W174 HydrophobicContact CD1-CD2 3.62Å; L165-W174 HydrophobicContact CD1-CE3 3.76Å; L165-W174 HydrophobicContact CD1-CG 3.83Å; L165-W174 HydrophobicContact CD1-CZ3 4.37Å
166T92Very high95.1Very high1 Ų135.8 Ų35.81%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-127.2142.4-179.4-57.80000110.6F63 I93 E94 K95 I121 T123F63-T166 HydrophobicContact CD2-CG2 3.89Å; F63-T166 HydrophobicContact CE2-CG2 3.68Å; F63-T166 HydrophobicContact CG-CG2 4.46Å; F63-T166 HydrophobicContact CZ-CG2 4.08Å; I93-T166 HydrophobicContact CG2-CG2 3.21Å; E94-T166 WeakPolarHBondContact O-CA 3.31Å; K95-T166 HydrophobicContact CG-CG2 4.46Å; I121-T166 PolarHBondContact N-O 2.9Å; I121-T166 PolarHBondContact O-N 3.44Å; T123-T166 WeakPolarHBondContact CG2-OG1 3.43Å; T123-T166 PolarHBondContact OG1-OG1 3.35Å
167G89.6Confident95.1Very high9 Ų935.7 Ų35.79%0.09320%0.2CC..EExtended strand (participates in β ladder)trans163.5-179.7178.400000113.4K92 E94 E169 A170K92-G167 CarbonylContact O-C 3.56Å; E94-G167 PolarHBondContact N-O 3.32Å; E94-G167 PolarHBondContact O-N 3.44Å; G167-E169 PolarHBondContact O-N 3.17Å; G167-A170 PolarHBondContact O-N 3.03Å
168D85Confident95.2Very high76 Ų7631.8 Ų31.841%0.40617%0.172SC..THydrogen-bonded Turntrans-69.6124.5172.8-154.6-0.6000110.1K92 A170 I173K92-D168 IonicContact NZ-OD2 3.44Å; K92-D168 PolarHBondContact NZ-OD2 2.97Å; K92-D168 WeakPolarHBondContact O-CA 3.26Å; K92-D168 WeakPolarHBondContact O-CB 3.2Å; K92-D168 PolarHBondContact O-N 3.3Å; D168-A170 PolarHBondContact O-N 2.88Å; D168-A170 VanDerWaalsContact O-N 3.15Å; D168-I173 WeakPolarHBondContact O-CD1 3.12Å
169E88.5Confident95.2Very high113 Ų11331.7 Ų31.753%0.52817%0.171SC..THydrogen-bonded Turntrans48.337.7-172-53.5-171.1164.200113.6G167 M171 S172 I173G167-E169 PolarHBondContact O-N 3.17Å; E169-M171 PolarHBondContact O-N 2.94Å; E169-S172 WeakPolarHBondContact O-CA 3.2Å; E169-S172 WeakPolarHBondContact O-CB 3.41Å; E169-S172 PolarHBondContact O-N 3.28Å; E169-I173 HydrophobicContact CB-CG1 4.48Å; E169-I173 WeakPolarHBondContact O-CG1 3.32Å; E169-I173 PolarHBondContact O-N 3.41Å
170A93.4Very high95.1Very high0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-51.7-39-169.800000113.8E94 T96 L120 G167 D168 W174E94-A170 HydrophobicContact CB-CB 4.15Å; E94-A170 WeakPolarHBondContact O-CB 3.41Å; T96-A170 HydrophobicContact CG2-CB 4.22Å; L120-A170 HydrophobicContact CD2-CB 3.87Å; G167-A170 PolarHBondContact O-N 3.03Å; D168-A170 PolarHBondContact O-N 2.88Å; D168-A170 VanDerWaalsContact O-N 3.15Å; A170-W174 WeakPolarHBondContact O-CB 3.23Å; A170-W174 PolarHBondContact O-N 3.22Å
171M93.6Very high94.8Very high18 Ų1833.9 Ų33.99%0.08919%0.19CC..Hα-helixtrans-65.8-46.5177.4-174.8177.5-6900112E169 W174 R175 S212 L213 A216E169-M171 PolarHBondContact O-N 2.94Å; M171-W174 PolarHBondContact O-N 3.29Å; M171-R175 WeakPolarHBondContact O-CB 3.24Å; M171-R175 VanDerWaalsContact O-CG 3.26Å; M171-R175 WeakPolarHBondContact O-CG 3.32Å; M171-R175 PolarHBondContact O-N 3.11Å; M171-S212 VanDerWaalsContact CE-O 3.27Å; M171-S212 WeakPolarHBondContact CE-O 3.46Å; M171-L213 HydrophobicContact CE-CB 4.4Å; M171-L213 HydrophobicContact CE-CD2 3.74Å; M171-L213 HydrophobicContact CE-CG 4.02Å; M171-L213 VanDerWaalsContact CE-N 3.28Å; M171-A216 HydrophobicContact CE-CB 4.08Å
172S93.8Very high94.6Very high59 Ų5937.2 Ų37.241%0.41321%0.208SC..Hα-helixtrans-63.2-46.6180-175.30000110.8E169 R175 T176E169-S172 WeakPolarHBondContact O-CA 3.2Å; E169-S172 WeakPolarHBondContact O-CB 3.41Å; E169-S172 PolarHBondContact O-N 3.28Å; S172-R175 PolarHBondContact O-N 3.1Å; S172-T176 WeakPolarHBondContact O-CB 3.27Å; S172-T176 PolarHBondContact O-N 3.11Å; S172-T176 PolarHBondContact O-OG1 3.31Å
173I96.1Very high94.4Very high50 Ų5037.2 Ų37.226%0.25621%0.208SC..Hα-helixtrans-61.4-49177-64.6-178.3000110.1A118 L120 D168 E169 R175 T176 L177A118-I173 HydrophobicContact CB-CG2 3.75Å; L120-I173 HydrophobicContact CD1-CB 4.31Å; L120-I173 HydrophobicContact CD1-CG2 3.82Å; L120-I173 HydrophobicContact CD2-CB 4.2Å; L120-I173 HydrophobicContact CD2-CD1 4.23Å; L120-I173 HydrophobicContact CD2-CG2 4.12Å; L120-I173 HydrophobicContact CG-CG2 3.94Å; D168-I173 WeakPolarHBondContact O-CD1 3.12Å; E169-I173 HydrophobicContact CB-CG1 4.48Å; E169-I173 WeakPolarHBondContact O-CG1 3.32Å; E169-I173 PolarHBondContact O-N 3.41Å; I173-R175 PolarHBondContact O-N 2.88Å; I173-T176 WeakPolarHBondContact O-CB 3.46Å; I173-T176 PolarHBondContact O-N 3.35Å; I173-T176 VanDerWaalsContact O-N 3.13Å; I173-L177 HydrophobicContact CG2-CD1 4.39Å; I173-L177 WeakPolarHBondContact O-CG 3.46Å; I173-L177 PolarHBondContact O-N 3.47Å
174W97.6Very high94.2Very high0 Ų039.1 Ų39.10%022%0.224CC..Hα-helixtrans-60.4-44.8179.8-179.7-130.7000112T96 A98 I111 I115 L120 L165 A170 M171 T176 L177 L178 L194 C207 H208T96-W174 HydrophobicContact CG2-CB 4Å; T96-W174 HydrophobicContact CG2-CG 4.34Å; A98-W174 HydrophobicContact CB-CD2 4.38Å; A98-W174 HydrophobicContact CB-CH2 4.41Å; A98-W174 HydrophobicContact CB-CZ2 3.55Å; I111-W174 HydrophobicContact CG2-CH2 4.34Å; I115-W174 HydrophobicContact CD1-CZ3 4.25Å; I115-W174 HydrophobicContact CG1-CE3 4.4Å; I115-W174 HydrophobicContact CG1-CZ3 3.88Å; L120-W174 HydrophobicContact CD1-CB 4.27Å; L165-W174 HydrophobicContact CD1-CB 4.26Å; L165-W174 HydrophobicContact CD1-CD2 3.62Å; L165-W174 HydrophobicContact CD1-CE3 3.76Å; L165-W174 HydrophobicContact CD1-CG 3.83Å; L165-W174 HydrophobicContact CD1-CZ3 4.37Å; A170-W174 WeakPolarHBondContact O-CB 3.23Å; A170-W174 PolarHBondContact O-N 3.22Å; M171-W174 PolarHBondContact O-N 3.29Å; W174-T176 VanDerWaalsContact C-N 3.29Å; W174-T176 PolarHBondContact O-N 2.88Å; W174-L177 HydrophobicContact CE3-CB 4.23Å; W174-L177 HydrophobicContact CE3-CD1 4.05Å; W174-L177 HydrophobicContact CZ3-CB 4.48Å; W174-L177 HydrophobicContact CZ3-CD1 4.37Å; W174-L177 WeakPolarHBondContact O-CB 3.42Å; W174-L177 PolarHBondContact O-N 2.98Å; W174-L178 HydrophobicContact CD2-CD1 4.34Å; W174-L178 HydrophobicContact CD2-CG 4.19Å; W174-L178 HydrophobicContact CG-CD1 4.4Å; W174-L178 HydrophobicContact CH2-CD2 4.04Å; W174-L178 HydrophobicContact CZ2-CD1 4.32Å; W174-L178 HydrophobicContact CZ2-CD2 3.67Å; W174-L178 HydrophobicContact CZ2-CG 4.08Å; W174-L178 VanDerWaalsContact O-CG 3.31Å; W174-L178 WeakPolarHBondContact O-CG 3.33Å; W174-L178 PolarHBondContact O-N 3.03Å; W174-L194 HydrophobicContact CH2-CD1 3.64Å; W174-L194 HydrophobicContact CZ3-CD1 3.7Å; W174-C207 HydrophobicContact CH2-CB 4.22Å; W174-C207 HydrophobicContact CZ2-CB 3.86Å; W174-H208 PolarHBondContact NE1-O 3.05Å
175R96.1Very high94.1Very high131 Ų13139.9 Ų39.949%0.49423%0.232SC..Hα-helixtrans-62.8-35.9175.7-73.4178.862.91671.7112.7M171 S172 I173 L178 G179 E211M171-R175 WeakPolarHBondContact O-CB 3.24Å; M171-R175 VanDerWaalsContact O-CG 3.26Å; M171-R175 WeakPolarHBondContact O-CG 3.32Å; M171-R175 PolarHBondContact O-N 3.11Å; S172-R175 PolarHBondContact O-N 3.1Å; I173-R175 PolarHBondContact O-N 2.88Å; R175-L178 PolarHBondContact O-N 3.28Å; R175-G179 PolarHBondContact O-N 2.96Å; R175-E211 PolarHBondContact NH1-O 2.55Å
176T96.5Very high94.1Very high102 Ų10239.9 Ų39.963%0.62623%0.232SC*.Hα-helixtrans-66.3-42.7175.4-61.30000111.2S172 I173 W174 L178 G179S172-T176 WeakPolarHBondContact O-CB 3.27Å; S172-T176 PolarHBondContact O-N 3.11Å; S172-T176 PolarHBondContact O-OG1 3.31Å; I173-T176 WeakPolarHBondContact O-CB 3.46Å; I173-T176 PolarHBondContact O-N 3.35Å; I173-T176 VanDerWaalsContact O-N 3.13Å; W174-T176 VanDerWaalsContact C-N 3.29Å; W174-T176 PolarHBondContact O-N 2.88Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 2.97Å; T176-G179 PolarHBondContact O-N 3.01Å
177L97.1Very high94.3Very high35 Ų3545.2 Ų45.218%0.18325%0.252CS..Hα-helixtrans-63-37.1173.8-68.8177.2000112.3A118 I173 W174 S193 L194A118-L177 HydrophobicContact CB-CD1 3.68Å; A118-L177 HydrophobicContact CB-CD2 4.25Å; A118-L177 HydrophobicContact CB-CG 4.33Å; I173-L177 HydrophobicContact CG2-CD1 4.39Å; I173-L177 WeakPolarHBondContact O-CG 3.46Å; I173-L177 PolarHBondContact O-N 3.47Å; W174-L177 HydrophobicContact CE3-CB 4.23Å; W174-L177 HydrophobicContact CE3-CD1 4.05Å; W174-L177 HydrophobicContact CZ3-CB 4.48Å; W174-L177 HydrophobicContact CZ3-CD1 4.37Å; W174-L177 WeakPolarHBondContact O-CB 3.42Å; W174-L177 PolarHBondContact O-N 2.98Å; L177-S193 CarbonylContact O-C 3.55Å; L177-S193 WeakPolarHBondContact O-CA 3.48Å; L177-S193 WeakPolarHBondContact O-CB 3.38Å; L177-L194 PolarHBondContact O-N 3.32Å
178L97.6Very high94.6Very high2 Ų252.3 Ų52.31%0.0128%0.283CS..Hα-helixtrans-67-45.2177.3-72.6174.8000112.4W174 R175 T176 S193 L194 R195 C207W174-L178 HydrophobicContact CD2-CD1 4.34Å; W174-L178 HydrophobicContact CD2-CG 4.19Å; W174-L178 HydrophobicContact CG-CD1 4.4Å; W174-L178 HydrophobicContact CH2-CD2 4.04Å; W174-L178 HydrophobicContact CZ2-CD1 4.32Å; W174-L178 HydrophobicContact CZ2-CD2 3.67Å; W174-L178 HydrophobicContact CZ2-CG 4.08Å; W174-L178 VanDerWaalsContact O-CG 3.31Å; W174-L178 WeakPolarHBondContact O-CG 3.33Å; W174-L178 PolarHBondContact O-N 3.03Å; R175-L178 PolarHBondContact O-N 3.28Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 2.97Å; L178-S193 WeakPolarHBondContact O-CB 3.47Å; L178-L194 HydrophobicContact CD2-CD1 4.17Å; L178-R195 WeakPolarHBondContact O-CB 3.46Å; L178-R195 WeakPolarHBondContact O-CD 3.27Å; L178-R195 WeakPolarHBondContact O-CG 3.45Å; L178-R195 PolarHBondContact O-N 3.09Å; L178-R195 VanDerWaalsContact O-N 3.15Å; L178-C207 HydrophobicContact CD2-CB 3.3Å
179G96.5Very high95.2Very high14 Ų1455.5 Ų55.514%0.14430%0.295CS..  trans74.9-176.7-169.800000113.3R175 T176 R195R175-G179 PolarHBondContact O-N 2.96Å; T176-G179 PolarHBondContact O-N 3.01Å; G179-R195 PolarHBondContact O-NH1 3.38Å
180P95.4Very high95.6Very high34 Ų3451.6 Ų51.622%0.22128%0.282CS..  trans-50.9144.1178.2-27.433000113.6D182 A185 A186 E189 R195P180-D182 VanDerWaalsContact C-N 3.28Å; P180-D182 PolarHBondContact O-N 3.48Å; P180-A185 HydrophobicContact CB-CB 4.07Å; P180-A186 HydrophobicContact CB-CB 4.25Å; P180-A186 HydrophobicContact CG-CB 4.33Å; P180-E189 HydrophobicContact CG-CB 4.14Å; P180-E189 WeakPolarHBondContact CG-OE2 3.42Å; P180-R195 WeakPolarHBondContact O-CD 3.29Å
181A92Very high95.7Very high58 Ų5855.1 Ų55.148%0.47931%0.305SS..SBendtrans-63.3-32.8-175.900000113.5N205A181-N205 WeakPolarHBondContact O-CB 3.45Å; A181-N205 PolarHBondContact O-ND2 2.95Å
182D93.9Very high95.7Very high70 Ų7061 Ų6137%0.37433%0.332SS..SBendtrans-81.6122.1170.8-178.4-85.1000110.2P180 A184 A185 A186P180-D182 VanDerWaalsContact C-N 3.28Å; P180-D182 PolarHBondContact O-N 3.48Å; D182-A184 VanDerWaalsContact C-N 3.25Å; D182-A184 PolarHBondContact O-N 2.87Å; D182-A184 VanDerWaalsContact OD1-CA 3.32Å; D182-A184 WeakPolarHBondContact OD1-CA 3.14Å; D182-A184 VanDerWaalsContact OD1-CB 3.23Å; D182-A184 WeakPolarHBondContact OD1-CB 3.25Å; D182-A184 PolarHBondContact OD1-N 2.85Å; D182-A185 HydrophobicContact CB-CB 4.11Å; D182-A185 PolarHBondContact O-N 3.46Å; D182-A185 PolarHBondContact OD1-N 3.4Å; D182-A186 WeakPolarHBondContact O-CB 3.44Å; D182-A186 PolarHBondContact O-N 3.45Å
183S94.3Very high95.9Very high0 Ų058.5 Ų58.50%032%0.315CS..Hα-helixtrans-65.2-26.5-175.8-58.20000113.1R187 G199 D201S183-R187 WeakPolarHBondContact O-CG 3.2Å; S183-R187 VanDerWaalsContact O-CZ 3.29Å; S183-R187 PolarHBondContact O-N 3.28Å; S183-R187 VanDerWaalsContact O-N 3.1Å; S183-R187 PolarHBondContact O-NH1 3.41Å; S183-G199 WeakPolarHBondContact OG-CA 3.23Å; S183-D201 PolarHBondContact OG-O 3.02Å
184A94.5Very high95.9Very high41 Ų4156.2 Ų56.234%0.33930%0.303SS..Hα-helixtrans-75.4-40.6176.100000111.6D182 A186 R187 Q188D182-A184 VanDerWaalsContact C-N 3.25Å; D182-A184 PolarHBondContact O-N 2.87Å; D182-A184 VanDerWaalsContact OD1-CA 3.32Å; D182-A184 WeakPolarHBondContact OD1-CA 3.14Å; D182-A184 VanDerWaalsContact OD1-CB 3.23Å; D182-A184 WeakPolarHBondContact OD1-CB 3.25Å; D182-A184 PolarHBondContact OD1-N 2.85Å; A184-A186 VanDerWaalsContact C-N 3.35Å; A184-R187 PolarHBondContact O-N 3.28Å; A184-Q188 PolarHBondContact O-N 3.43Å
185A95.8Very high95.9Very high25 Ų2557.5 Ų57.521%0.20731%0.308CS..Hα-helixtrans-62.2-43.1169.900000111P180 D182 R187 Q188 E189P180-A185 HydrophobicContact CB-CB 4.07Å; D182-A185 HydrophobicContact CB-CB 4.11Å; D182-A185 PolarHBondContact O-N 3.46Å; D182-A185 PolarHBondContact OD1-N 3.4Å; A185-R187 VanDerWaalsContact C-N 3.31Å; A185-R187 PolarHBondContact O-N 2.97Å; A185-Q188 PolarHBondContact O-N 3.13Å; A185-E189 PolarHBondContact O-N 3.3Å
186A96.6Very high95.9Very high0 Ų051.8 Ų51.80%029%0.289CS..Hα-helixtrans-58.9-40.6177.400000112.8P180 D182 A184 Q188 A190 R195 A196P180-A186 HydrophobicContact CB-CB 4.25Å; P180-A186 HydrophobicContact CG-CB 4.33Å; D182-A186 WeakPolarHBondContact O-CB 3.44Å; D182-A186 PolarHBondContact O-N 3.45Å; A184-A186 VanDerWaalsContact C-N 3.35Å; A186-Q188 PolarHBondContact O-N 3.09Å; A186-A190 CarbonylContact O-C 3.52Å; A186-A190 WeakPolarHBondContact O-CA 3.42Å; A186-A190 PolarHBondContact O-N 2.84Å; A186-A190 VanDerWaalsContact O-O 3.07Å; A186-R195 HydrophobicContact CB-CB 3.84Å; A186-A196 HydrophobicContact CB-CB 4.14Å
187R97Very high95.7Very high113 Ų11351.5 Ų51.543%0.42628%0.278SS..Hα-helixtrans-61.8-25.7174.7-78.8-176.8-72.3-89.74.6113.8S183 A184 A185 A196 G199S183-R187 WeakPolarHBondContact O-CG 3.2Å; S183-R187 VanDerWaalsContact O-CZ 3.29Å; S183-R187 PolarHBondContact O-N 3.28Å; S183-R187 VanDerWaalsContact O-N 3.1Å; S183-R187 PolarHBondContact O-NH1 3.41Å; A184-R187 PolarHBondContact O-N 3.28Å; A185-R187 VanDerWaalsContact C-N 3.31Å; A185-R187 PolarHBondContact O-N 2.97Å; R187-A196 HydrophobicContact CG-CB 4.06Å; R187-A196 WeakPolarHBondContact CG-O 3.19Å; R187-G199 PolarHBondContact NH1-O 2.86Å
188Q96.5Very high95.6Very high158 Ų15852.7 Ų52.774%0.73828%0.282SS*.Hα-helixtrans-89.2-48.6178.9-63.9175.731.700111.5A184 A185 A186A184-Q188 PolarHBondContact O-N 3.43Å; A185-Q188 PolarHBondContact O-N 3.13Å; A186-Q188 PolarHBondContact O-N 3.09Å
189E96.9Very high95.4Very high143 Ų14352.9 Ų52.967%0.66829%0.285SS*.Hα-helixtrans-87.4-35.6-170.2-63.6173.4-148.200113.2P180 A185P180-E189 HydrophobicContact CG-CB 4.14Å; P180-E189 WeakPolarHBondContact CG-OE2 3.42Å; A185-E189 PolarHBondContact O-N 3.3Å
190A96.1Very high95.2Very high30 Ų3056.2 Ų56.225%0.24830%0.302CS..  trans-140.469.3-177.300000111.3A186 Q192 S193 A196A186-A190 CarbonylContact O-C 3.52Å; A186-A190 WeakPolarHBondContact O-CA 3.42Å; A186-A190 PolarHBondContact O-N 2.84Å; A186-A190 VanDerWaalsContact O-O 3.07Å; A190-Q192 PolarHBondContact O-N 2.88Å; A190-S193 VanDerWaalsContact O-CB 3.23Å; A190-S193 WeakPolarHBondContact O-CB 3.47Å; A190-S193 PolarHBondContact O-N 3.46Å; A190-S193 PolarHBondContact O-OG 3.15Å; A190-A196 WeakPolarHBondContact O-CB 3.42Å
191P95.8Very high95.1Very high74 Ų7456.9 Ų56.948%0.48130%0.304SS..THydrogen-bonded Turntrans-58.9-20.1-171.9-23.331.7000115.1
192Q94.8Very high95Very high143 Ų14356.7 Ų56.767%0.66830%0.303SS*.THydrogen-bonded Turntrans-90.7-7.1179.1-62.3-56.5-31.300114.2A190 K197A190-Q192 PolarHBondContact O-N 2.88Å; Q192-K197 VanDerWaalsContact O-CE 3.31Å; Q192-K197 WeakPolarHBondContact O-CE 3.33Å; Q192-K197 PolarHBondContact O-NZ 3.48Å
193S96.7Very high94.9Very high6 Ų654.9 Ų54.94%0.04229%0.292CS..SBendtrans-68.1158.5179.967.50000112.6L177 L178 A190 R195 A196 K197L177-S193 CarbonylContact O-C 3.55Å; L177-S193 WeakPolarHBondContact O-CA 3.48Å; L177-S193 WeakPolarHBondContact O-CB 3.38Å; L178-S193 WeakPolarHBondContact O-CB 3.47Å; A190-S193 VanDerWaalsContact O-CB 3.23Å; A190-S193 WeakPolarHBondContact O-CB 3.47Å; A190-S193 PolarHBondContact O-N 3.46Å; A190-S193 PolarHBondContact O-OG 3.15Å; S193-R195 VanDerWaalsContact C-N 3.32Å; S193-R195 PolarHBondContact O-N 3.07Å; S193-A196 PolarHBondContact O-N 2.87Å; S193-A196 VanDerWaalsContact OG-CB 3.31Å; S193-A196 WeakPolarHBondContact OG-CB 3.43Å; S193-A196 PolarHBondContact OG-N 2.89Å; S193-K197 WeakPolarHBondContact O-CG 3.31Å; S193-K197 PolarHBondContact O-N 3.33Å
194L96Very high94.9Very high2 Ų260.5 Ų60.51%0.0131%0.314CS..Hα-helixtrans-56.3-46.2176.5-77.1170.1000111.5I111 L114 W174 L177 L178 A196 K197 F198 V206I111-L194 HydrophobicContact CG1-CD2 4.02Å; L114-L194 HydrophobicContact CD1-CD2 3.34Å; L114-L194 HydrophobicContact CD1-CG 4.04Å; W174-L194 HydrophobicContact CH2-CD1 3.64Å; W174-L194 HydrophobicContact CZ3-CD1 3.7Å; L177-L194 PolarHBondContact O-N 3.32Å; L178-L194 HydrophobicContact CD2-CD1 4.17Å; L194-A196 VanDerWaalsContact C-N 3.31Å; L194-A196 PolarHBondContact O-N 3.45Å; L194-K197 PolarHBondContact O-N 3.02Å; L194-F198 HydrophobicContact CD2-CD2 3.96Å; L194-F198 HydrophobicContact CD2-CE2 3.88Å; L194-F198 PolarHBondContact O-N 3.27Å; L194-V206 HydrophobicContact CB-CG1 4.41Å
195R97.1Very high94.9Very high27 Ų2759 Ų5910%0.10230%0.3CS..Hα-helixtrans-66.3-33.7-179.6-69.8174.6-179.9159.6-5.9112.4L178 G179 P180 A186 S193 G199 N205 C207L178-R195 WeakPolarHBondContact O-CB 3.46Å; L178-R195 WeakPolarHBondContact O-CD 3.27Å; L178-R195 WeakPolarHBondContact O-CG 3.45Å; L178-R195 PolarHBondContact O-N 3.09Å; L178-R195 VanDerWaalsContact O-N 3.15Å; G179-R195 PolarHBondContact O-NH1 3.38Å; P180-R195 WeakPolarHBondContact O-CD 3.29Å; A186-R195 HydrophobicContact CB-CB 3.84Å; S193-R195 VanDerWaalsContact C-N 3.32Å; S193-R195 PolarHBondContact O-N 3.07Å; R195-G199 VanDerWaalsContact O-CA 3.24Å; R195-G199 WeakPolarHBondContact O-CA 3.46Å; R195-G199 PolarHBondContact O-N 3.22Å; R195-N205 HydrophobicContact CG-CB 4.11Å; R195-N205 WeakPolarHBondContact CG-O 3.29Å; R195-C207 PolarHBondContact NH2-O 2.87Å
196A96.1Very high94.8Very high11 Ų1157.8 Ų57.89%0.09129%0.29CS..Hα-helixtrans-68.2-42.9173.600000112.4A186 R187 A190 S193 L194A186-A196 HydrophobicContact CB-CB 4.14Å; R187-A196 HydrophobicContact CG-CB 4.06Å; R187-A196 WeakPolarHBondContact CG-O 3.19Å; A190-A196 WeakPolarHBondContact O-CB 3.42Å; S193-A196 PolarHBondContact O-N 2.87Å; S193-A196 VanDerWaalsContact OG-CB 3.31Å; S193-A196 WeakPolarHBondContact OG-CB 3.43Å; S193-A196 PolarHBondContact OG-N 2.89Å; L194-A196 VanDerWaalsContact C-N 3.31Å; L194-A196 PolarHBondContact O-N 3.45Å
197K94.3Very high94.7Very high95 Ų9557.8 Ų57.841%0.41329%0.29SS..Hα-helixtrans-75.8-42.3-174-76.6174.6170.6158.90113.8Q192 S193 L194Q192-K197 VanDerWaalsContact O-CE 3.31Å; Q192-K197 WeakPolarHBondContact O-CE 3.33Å; Q192-K197 PolarHBondContact O-NZ 3.48Å; S193-K197 WeakPolarHBondContact O-CG 3.31Å; S193-K197 PolarHBondContact O-N 3.33Å; L194-K197 PolarHBondContact O-N 3.02Å
198F94.2Very high94.7Very high60 Ų6053.3 Ų53.326%0.26327%0.274SS..Hα-helixtrans-121.5-9.9-170.8-48.7-59.1000113.8V104 K107 D110 L194 V206V104-F198 HydrophobicContact CG1-CB 4.24Å; K107-F198 HydrophobicContact CD-CE1 4.34Å; K107-F198 HydrophobicContact CG-CD1 4.4Å; D110-F198 HydrophobicContact CB-CZ 4.48Å; L194-F198 HydrophobicContact CD2-CD2 3.96Å; L194-F198 HydrophobicContact CD2-CE2 3.88Å; L194-F198 PolarHBondContact O-N 3.27Å; F198-V206 HydrophobicContact CB-CG1 4.16Å; F198-V206 HydrophobicContact CB-CG2 3.63Å; F198-V206 HydrophobicContact CD2-CG1 4.36Å
199G94.1Very high94.6Very high6 Ų646.2 Ų46.26%0.06224%0.243CC..  trans-81.9138.5-175.600000113.3S183 R187 R195 V206S183-G199 WeakPolarHBondContact OG-CA 3.23Å; R187-G199 PolarHBondContact NH1-O 2.86Å; R195-G199 VanDerWaalsContact O-CA 3.24Å; R195-G199 WeakPolarHBondContact O-CA 3.46Å; R195-G199 PolarHBondContact O-N 3.22Å; G199-V206 VanDerWaalsContact CA-CG2 3.47Å
200T92.4Very high94.6Very high84 Ų8439.5 Ų39.552%0.51521%0.212SC..  trans-96.1-46.4178.863.90000111.8R204T200-R204 PolarHBondContact N-O 3.02Å; T200-R204 WeakPolarHBondContact OG1-CB 3.39Å
201D91.7Very high94.3Very high49 Ų4943.8 Ų43.826%0.26223%0.227SC..SBendtrans-145.7-169.3-17663.659.8000111.1S183 I203 R204 N205S183-D201 PolarHBondContact OG-O 3.02Å; D201-I203 WeakPolarHBondContact OD1-CA 3.05Å; D201-I203 WeakPolarHBondContact OD1-CB 3.31Å; D201-I203 PolarHBondContact OD1-N 3.41Å; D201-R204 PolarHBondContact N-O 2.96Å; D201-R204 CarbonylContact O-C 3.51Å; D201-R204 PolarHBondContact OD1-N 2.95Å; D201-R204 IonicContact OD2-CZ 2.92Å; D201-R204 IonicContact OD2-NH1 3.76Å; D201-R204 PolarHBondContact OD2-NH1 2.91Å; D201-N205 WeakPolarHBondContact O-CB 3.17Å
202A90.8Very high94.1Very high54 Ų5442.7 Ų42.745%0.44622%0.221SC..SBendtrans-73.1-25.1-178.900000114.1N205A202-N205 PolarHBondContact O-ND2 2.7Å
203I92.2Very high93.8Very high31 Ų3140.4 Ų40.416%0.15921%0.213CC..SBendtrans-89.6-47.3177.8-64.5176.3000109.8K101 F147 N150 L151 F154 D201 N205K101-I203 PolarHBondContact NZ-O 3.33Å; F147-I203 HydrophobicContact CB-CD1 4.18Å; N150-I203 HydrophobicContact CB-CD1 3.59Å; L151-I203 HydrophobicContact CD1-CG2 4.19Å; F154-I203 HydrophobicContact CB-CG2 3.93Å; F154-I203 HydrophobicContact CD1-CG2 3.59Å; F154-I203 HydrophobicContact CE1-CG2 4.45Å; F154-I203 HydrophobicContact CG-CG2 4.02Å; D201-I203 WeakPolarHBondContact OD1-CA 3.05Å; D201-I203 WeakPolarHBondContact OD1-CB 3.31Å; D201-I203 PolarHBondContact OD1-N 3.41Å; I203-N205 VanDerWaalsContact C-N 3.28Å; I203-N205 PolarHBondContact O-N 2.9Å
204R94.3Very high93.4Very high119 Ų11943 Ų4345%0.44924%0.235SC..SBendtrans-8964.3175.7-60.4-170.9-172.290.4-1.8110.5F154 T200 D201F154-R204 HydrophobicContact CD1-CG 4.29Å; F154-R204 HydrophobicContact CD2-CG 4.27Å; F154-R204 HydrophobicContact CE1-CB 4.3Å; F154-R204 HydrophobicContact CE1-CG 3.86Å; F154-R204 HydrophobicContact CE2-CG 3.9Å; F154-R204 HydrophobicContact CG-CG 4.46Å; F154-R204 HydrophobicContact CZ-CB 4.22Å; F154-R204 HydrophobicContact CZ-CG 3.68Å; T200-R204 PolarHBondContact N-O 3.02Å; T200-R204 WeakPolarHBondContact OG1-CB 3.39Å; D201-R204 PolarHBondContact N-O 2.96Å; D201-R204 CarbonylContact O-C 3.51Å; D201-R204 PolarHBondContact OD1-N 2.95Å; D201-R204 IonicContact OD2-CZ 2.92Å; D201-R204 IonicContact OD2-NH1 3.76Å; D201-R204 PolarHBondContact OD2-NH1 2.91Å
205N93.2Very high93.3Very high9 Ų943 Ų435%0.04824%0.235CC..  trans-110.136.9-176.468.8-2.9000111.7K101 A181 R195 D201 A202 I203 C207K101-N205 WeakPolarHBondContact CE-OD1 3.27Å; K101-N205 PolarHBondContact NZ-OD1 2.89Å; A181-N205 WeakPolarHBondContact O-CB 3.45Å; A181-N205 PolarHBondContact O-ND2 2.95Å; R195-N205 HydrophobicContact CG-CB 4.11Å; R195-N205 WeakPolarHBondContact CG-O 3.29Å; D201-N205 WeakPolarHBondContact O-CB 3.17Å; A202-N205 PolarHBondContact O-ND2 2.7Å; I203-N205 VanDerWaalsContact C-N 3.28Å; I203-N205 PolarHBondContact O-N 2.9Å; N205-C207 PolarHBondContact O-N 3.27Å
206V93.9Very high93.1Very high0 Ų041.8 Ų41.80%023%0.23CC..SBendtrans71.5-62.7168.8-167.20000114.4K101 V104 I111 L194 F198 G199K101-V206 WeakPolarHBondContact CB-O 3.38Å; K101-V206 PolarHBondContact N-O 2.88Å; V104-V206 HydrophobicContact CB-CG1 4.13Å; V104-V206 HydrophobicContact CG1-CB 4.35Å; V104-V206 HydrophobicContact CG1-CG1 4.04Å; V104-V206 HydrophobicContact CG1-CG2 4.27Å; V104-V206 HydrophobicContact CG2-CB 4.29Å; V104-V206 HydrophobicContact CG2-CG1 3.73Å; V104-V206 WeakPolarHBondContact CG2-O 3.43Å; I111-V206 HydrophobicContact CD1-CG1 4.44Å; L194-V206 HydrophobicContact CB-CG1 4.41Å; F198-V206 HydrophobicContact CB-CG1 4.16Å; F198-V206 HydrophobicContact CB-CG2 3.63Å; F198-V206 HydrophobicContact CD2-CG1 4.36Å; G199-V206 VanDerWaalsContact CA-CG2 3.47Å
207C95.6Very high92.9Very high0 Ų044 Ų440%025%0.249CC..EExtended strand (participates in β ladder)trans-143.6147.7-170.3-72.70000112.8L99 W174 L178 R195 N205L99-C207 CarbonylContact O-C 3.57Å; L99-C207 WeakPolarHBondContact O-CA 3.26Å; W174-C207 HydrophobicContact CH2-CB 4.22Å; W174-C207 HydrophobicContact CZ2-CB 3.86Å; L178-C207 HydrophobicContact CD2-CB 3.3Å; R195-C207 PolarHBondContact NH2-O 2.87Å; N205-C207 PolarHBondContact O-N 3.27Å
208H96.1Very high92.9Very high19 Ų1945.6 Ų45.69%0.08825%0.253CS..EExtended strand (participates in β ladder)trans-94.1150.3167.6-177.272.9000110.6F97 A98 L99 F138 Y139 W174 E219F97-H208 AromaticContact CD1-CD2 3.86Å; F97-H208 AromaticContact CE1-CD2 3.96Å; A98-H208 WeakPolarHBondContact CA-O 3.35Å; L99-H208 HydrophobicContact CB-CB 3.83Å; L99-H208 PolarHBondContact N-O 2.86Å; L99-H208 PolarHBondContact O-N 3.39Å; F138-H208 AromaticContact CZ-CD2 3.96Å; F138-H208 AromaticContact CZ-NE2 3.95Å; Y139-H208 AromaticContact CE1-ND1 3.96Å; W174-H208 PolarHBondContact NE1-O 3.05Å; H208-E219 IonicContact CD2-OE1 3.2Å; H208-E219 IonicContact CE1-OE1 3.2Å; H208-E219 IonicContact NE2-OE1 3.9Å; H208-E219 PolarHBondContact NE2-OE1 3.07Å; H208-E219 IonicContact NE2-OE2 2.91Å
209G95.5Very high92.9Very high9 Ų943.7 Ų43.79%0.09324%0.244CC..EExtended strand (participates in β ladder)trans-146.3141.4169.600000109.3F97F97-G209 WeakPolarHBondContact O-CA 3.48Å
210S94.9Very high93Very high1 Ų144 Ų441%0.00725%0.245CC..  trans-58.5143.7-176.2-430000112.7F97 A216 E219F97-S210 WeakPolarHBondContact CB-OG 3.43Å; F97-S210 PolarHBondContact N-OG 2.88Å; F97-S210 PolarHBondContact O-N 3.33Å; S210-A216 VanDerWaalsContact OG-CA 3.23Å; S210-A216 WeakPolarHBondContact OG-CA 3.41Å; S210-A216 VanDerWaalsContact OG-CB 3.32Å; S210-A216 WeakPolarHBondContact OG-CB 3.42Å; S210-E219 VanDerWaalsContact CB-OE2 3.24Å; S210-E219 WeakPolarHBondContact CB-OE2 3.14Å; S210-E219 PolarHBondContact OG-OE2 2.82Å
211E90Very high93Very high120 Ų12044.2 Ų44.256%0.56124%0.24SC*.SBendtrans-83.5-21.4178.2-61.7-168.7165.800113.4R175R175-E211 PolarHBondContact NH1-O 2.55Å
212S91.4Very high93.1Very high51 Ų5144.4 Ų44.436%0.35724%0.238SC..SBendtrans-152.8163179.568.10000111.9M171 A214 A215 A216M171-S212 VanDerWaalsContact CE-O 3.27Å; M171-S212 WeakPolarHBondContact CE-O 3.46Å; S212-A214 PolarHBondContact O-N 3.03Å; S212-A215 WeakPolarHBondContact O-CB 3.42Å; S212-A215 PolarHBondContact O-N 3.29Å; S212-A215 VanDerWaalsContact O-N 3.11Å; S212-A215 WeakPolarHBondContact OG-CB 3.16Å; S212-A215 PolarHBondContact OG-N 3.15Å; S212-A215 VanDerWaalsContact OG-N 3.13Å; S212-A216 PolarHBondContact O-N 2.98Å
213L89.3Confident93.3Very high96 Ų9642 Ų4250%0.50322%0.218SC..Hα-helixtrans-62.2-34.5177.6-68.5170.6000112E94 M171 A216 A217E94-L213 HydrophobicContact CB-CD2 4.43Å; M171-L213 HydrophobicContact CE-CB 4.4Å; M171-L213 HydrophobicContact CE-CD2 3.74Å; M171-L213 HydrophobicContact CE-CG 4.02Å; M171-L213 VanDerWaalsContact CE-N 3.28Å; L213-A216 PolarHBondContact O-N 3.23Å; L213-A217 PolarHBondContact O-N 3.16Å
214A89.2Confident93.3Very high61 Ų6141.5 Ų41.550%0.50422%0.215SC..Hα-helixtrans-66.9-38.9174.500000111.9S212 R218S212-A214 PolarHBondContact O-N 3.03Å; A214-R218 WeakPolarHBondContact O-CG 3.34Å; A214-R218 PolarHBondContact O-N 2.83Å; A214-R218 PolarHBondContact O-NH1 3.44Å
215A92.5Very high93.1Very high1 Ų137.5 Ų37.51%0.00820%0.204CC..Hα-helixtrans-64.5-48.6172.400000110.7S212 A217 R218 E219S212-A215 WeakPolarHBondContact O-CB 3.42Å; S212-A215 PolarHBondContact O-N 3.29Å; S212-A215 VanDerWaalsContact O-N 3.11Å; S212-A215 WeakPolarHBondContact OG-CB 3.16Å; S212-A215 PolarHBondContact OG-N 3.15Å; S212-A215 VanDerWaalsContact OG-N 3.13Å; A215-A217 VanDerWaalsContact C-N 3.31Å; A215-A217 PolarHBondContact O-N 3.22Å; A215-R218 PolarHBondContact O-N 3.27Å; A215-R218 VanDerWaalsContact O-N 3.09Å; A215-E219 WeakPolarHBondContact O-CB 3.11Å; A215-E219 WeakPolarHBondContact O-CG 3.33Å; A215-E219 PolarHBondContact O-N 2.95Å
216A94.6Very high92.4Very high1 Ų142 Ų421%0.00824%0.236CC..Hα-helixtrans-53.7-46.2177.500000112.4M171 S210 S212 L213 R218 E219 L220M171-A216 HydrophobicContact CE-CB 4.08Å; S210-A216 VanDerWaalsContact OG-CA 3.23Å; S210-A216 WeakPolarHBondContact OG-CA 3.41Å; S210-A216 VanDerWaalsContact OG-CB 3.32Å; S210-A216 WeakPolarHBondContact OG-CB 3.42Å; S212-A216 PolarHBondContact O-N 2.98Å; L213-A216 PolarHBondContact O-N 3.23Å; A216-R218 PolarHBondContact O-N 3.31Å; A216-E219 PolarHBondContact O-N 3.17Å; A216-L220 VanDerWaalsContact O-CB 3.25Å; A216-L220 WeakPolarHBondContact O-CB 3.44Å; A216-L220 WeakPolarHBondContact O-CD1 3.44Å; A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 2.99Å
217A91.6Very high91.3Very high59 Ų5945.7 Ų45.749%0.48826%0.259SS..Hα-helixtrans-60.5-43.6178.100000112.7L213 A215 E221L213-A217 PolarHBondContact O-N 3.16Å; A215-A217 VanDerWaalsContact C-N 3.31Å; A215-A217 PolarHBondContact O-N 3.22Å; A217-E221 WeakPolarHBondContact O-CB 3.22Å; A217-E221 PolarHBondContact O-N 3.46Å
218R92.8Very high89.9Confident128 Ų12851 Ų5148%0.48329%0.291SS..Hα-helixtrans-67.5-44.2177.2-66.9-172.5-46.4-97.82.7112.3E141 A214 A215 A216 L220 E221 F222E141-R218 IonicContact OE1-CZ 2.82Å; E141-R218 IonicContact OE1-NH2 3.28Å; E141-R218 PolarHBondContact OE1-NH2 3.15Å; A214-R218 WeakPolarHBondContact O-CG 3.34Å; A214-R218 PolarHBondContact O-N 2.83Å; A214-R218 PolarHBondContact O-NH1 3.44Å; A215-R218 PolarHBondContact O-N 3.27Å; A215-R218 VanDerWaalsContact O-N 3.09Å; A216-R218 PolarHBondContact O-N 3.31Å; R218-L220 VanDerWaalsContact C-N 3.34Å; R218-E221 PolarHBondContact O-N 3.23Å; R218-F222 WeakPolarHBondContact O-CB 3.46Å; R218-F222 PolarHBondContact O-N 2.96Å
219E95.8Very high88.3Confident20 Ų2053.3 Ų53.39%0.09332%0.32CS..Hα-helixtrans-63.6-41.2179.2-67.5173.8162.400111F97 F138 H208 S210 A215 A216 F222 F223F97-E219 HydrophobicContact CB-CB 3.91Å; F97-E219 WeakPolarHBondContact CB-OE2 3.47Å; F97-E219 HydrophobicContact CD1-CB 3.76Å; F97-E219 HydrophobicContact CD1-CG 4.33Å; F97-E219 WeakPolarHBondContact CD1-OE2 3.23Å; F97-E219 HydrophobicContact CD2-CB 4.22Å; F97-E219 HydrophobicContact CE1-CB 4.34Å; F97-E219 HydrophobicContact CG-CB 3.7Å; F138-E219 HydrophobicContact CD2-CG 4.43Å; F138-E219 HydrophobicContact CE2-CB 3.72Å; F138-E219 HydrophobicContact CE2-CG 3.49Å; F138-E219 VanDerWaalsContact CE2-CG 3.49Å; F138-E219 HydrophobicContact CZ-CB 4.3Å; F138-E219 HydrophobicContact CZ-CG 3.85Å; H208-E219 IonicContact CD2-OE1 3.2Å; H208-E219 IonicContact CE1-OE1 3.2Å; H208-E219 IonicContact NE2-OE1 3.9Å; H208-E219 PolarHBondContact NE2-OE1 3.07Å; H208-E219 IonicContact NE2-OE2 2.91Å; S210-E219 VanDerWaalsContact CB-OE2 3.24Å; S210-E219 WeakPolarHBondContact CB-OE2 3.14Å; S210-E219 PolarHBondContact OG-OE2 2.82Å; A215-E219 WeakPolarHBondContact O-CB 3.11Å; A215-E219 WeakPolarHBondContact O-CG 3.33Å; A215-E219 PolarHBondContact O-N 2.95Å; A216-E219 PolarHBondContact O-N 3.17Å; E219-F222 WeakPolarHBondContact O-CB 3.36Å; E219-F222 PolarHBondContact O-N 3Å; E219-F223 WeakPolarHBondContact O-CD2 3.44Å; E219-F223 PolarHBondContact O-N 2.78Å
220L95.3Very high87Confident13 Ų1360.1 Ų60.17%0.06835%0.349CS..Hα-helixtrans-64.6-45.1174.5-74168.3000112.1K95 F97 E164 A216 R218 F222 F223 F224K95-L220 HydrophobicContact CB-CD1 4.11Å; F97-L220 HydrophobicContact CB-CD2 4.28Å; F97-L220 HydrophobicContact CB-CG 4.15Å; F97-L220 HydrophobicContact CD2-CD2 3.94Å; F97-L220 HydrophobicContact CD2-CG 4.37Å; E164-L220 HydrophobicContact CB-CD2 3.49Å; E164-L220 VanDerWaalsContact CB-CD2 3.49Å; E164-L220 HydrophobicContact CG-CD1 4.07Å; E164-L220 HydrophobicContact CG-CD2 3.57Å; A216-L220 VanDerWaalsContact O-CB 3.25Å; A216-L220 WeakPolarHBondContact O-CB 3.44Å; A216-L220 WeakPolarHBondContact O-CD1 3.44Å; A216-L220 WeakPolarHBondContact O-CG 3.47Å; A216-L220 PolarHBondContact O-N 2.99Å; R218-L220 VanDerWaalsContact C-N 3.34Å; L220-F222 VanDerWaalsContact C-N 3.26Å; L220-F222 PolarHBondContact O-N 2.92Å; L220-F223 PolarHBondContact O-N 2.8Å; L220-F224 HydrophobicContact CD2-CD2 4.09Å; L220-F224 HydrophobicContact CD2-CE2 4.37Å; L220-F224 CarbonylContact O-C 3.59Å; L220-F224 WeakPolarHBondContact O-CA 3.33Å; L220-F224 WeakPolarHBondContact O-CB 3.42Å; L220-F224 PolarHBondContact O-N 2.84Å
221E93.3Very high86.4Confident87 Ų8761.1 Ų61.141%0.40736%0.36SS..Hα-helixtrans-64.5-33.5177.5-171.361.6-151.600111.5A217 R218 P225 S226A217-E221 WeakPolarHBondContact O-CB 3.22Å; A217-E221 PolarHBondContact O-N 3.46Å; R218-E221 PolarHBondContact O-N 3.23Å; E221-P225 WeakPolarHBondContact O-CA 3.28Å; E221-P225 WeakPolarHBondContact O-CB 3.48Å; E221-P225 WeakPolarHBondContact OE1-CA 3.47Å; E221-S226 PolarHBondContact OE1-N 2.97Å; E221-S226 PolarHBondContact OE2-OG 3.47Å
222F93.4Very high86.5Confident54 Ų5455.5 Ų55.524%0.23733%0.334CS..Hα-helixtrans-64.1-46.4175.2-178.8-87.2000112.5Q134 F138 R218 E219 L220 P232Q134-F222 HydrophobicContact CB-CZ 3.87Å; Q134-F222 HydrophobicContact CG-CZ 4.23Å; Q134-F222 WeakPolarHBondContact O-CZ 3.41Å; F138-F222 HydrophobicContact CB-CE1 4.3Å; F138-F222 HydrophobicContact CB-CZ 4.28Å; F138-F222 HydrophobicContact CD2-CD1 4.02Å; F138-F222 HydrophobicContact CD2-CE1 4.35Å; F138-F222 HydrophobicContact CD2-CG 4.37Å; R218-F222 WeakPolarHBondContact O-CB 3.46Å; R218-F222 PolarHBondContact O-N 2.96Å; E219-F222 WeakPolarHBondContact O-CB 3.36Å; E219-F222 PolarHBondContact O-N 3Å; L220-F222 VanDerWaalsContact C-N 3.26Å; L220-F222 PolarHBondContact O-N 2.92Å; F222-P232 HydrophobicContact CD1-CG 4.25Å; F222-P232 HydrophobicContact CE1-CG 3.63Å; F222-P232 HydrophobicContact CZ-CG 4.27Å; F222-P232 VanDerWaalsContact O-CD 3.28Å; F222-P232 WeakPolarHBondContact O-CD 3.49Å
223F94.4Very high86.4Confident2 Ų255.5 Ų55.51%0.00934%0.342CS..Hα-helixtrans-85.9-30.6-177.1-81.6-80.9000114.1F97 L99 K126 T128 V130 F138 A162 E219 L220 P232F97-F223 HydrophobicContact CD2-CD2 4.48Å; F97-F223 HydrophobicContact CE1-CD2 4.24Å; F97-F223 HydrophobicContact CE1-CE2 4.11Å; F97-F223 HydrophobicContact CE2-CB 4.05Å; F97-F223 AromaticContact CE2-CD2 3.35Å; F97-F223 HydrophobicContact CE2-CD2 3.35Å; F97-F223 HydrophobicContact CE2-CE2 4Å; F97-F223 AromaticContact CE2-CG 3.85Å; F97-F223 HydrophobicContact CE2-CG 3.85Å; F97-F223 AromaticContact CZ-CD2 3.2Å; F97-F223 HydrophobicContact CZ-CD2 3.2Å; F97-F223 AromaticContact CZ-CE2 3.33Å; F97-F223 HydrophobicContact CZ-CE2 3.33Å; F97-F223 AromaticContact CZ-CG 3.99Å; F97-F223 HydrophobicContact CZ-CG 3.99Å; F97-F223 HydrophobicContact CZ-CZ 4.19Å; L99-F223 HydrophobicContact CD1-CE1 4.24Å; L99-F223 HydrophobicContact CD1-CE2 4.43Å; L99-F223 HydrophobicContact CD1-CZ 3.93Å; K126-F223 WeakPolarHBondContact CE-O 3.28Å; K126-F223 PolarHBondContact NZ-O 3.11Å; T128-F223 HydrophobicContact CG2-CD1 3.94Å; T128-F223 HydrophobicContact CG2-CE1 3.64Å; V130-F223 HydrophobicContact CG1-CE1 3.91Å; V130-F223 HydrophobicContact CG1-CZ 4.08Å; F138-F223 HydrophobicContact CD2-CD2 4.34Å; F138-F223 AromaticContact CD2-CE2 3.62Å; F138-F223 HydrophobicContact CD2-CE2 3.62Å; F138-F223 HydrophobicContact CE2-CD2 4.05Å; F138-F223 AromaticContact CE2-CE2 3.47Å; F138-F223 HydrophobicContact CE2-CE2 3.47Å; F138-F223 VanDerWaalsContact CE2-CE2 3.47Å; F138-F223 HydrophobicContact CG-CE2 4.3Å; F138-F223 HydrophobicContact CZ-CE2 4.06Å; A162-F223 HydrophobicContact CB-CB 4.01Å; A162-F223 HydrophobicContact CB-CD1 3.48Å; A162-F223 VanDerWaalsContact CB-CD1 3.48Å; A162-F223 HydrophobicContact CB-CD2 4.32Å; A162-F223 HydrophobicContact CB-CE1 3.98Å; A162-F223 HydrophobicContact CB-CG 3.67Å; E219-F223 WeakPolarHBondContact O-CD2 3.44Å; E219-F223 PolarHBondContact O-N 2.78Å; L220-F223 PolarHBondContact O-N 2.8Å; F223-P232 HydrophobicContact CD1-CG 4.07Å; F223-P232 HydrophobicContact CE1-CG 4.06Å
224F92.9Very high86.7Confident22 Ų2252 Ų5210%0.09632%0.324CS..SBendtrans-132.262.2-174.4-52.1-73.6000110.9K124 K126 A162 L220K124-F224 HydrophobicContact CB-CD1 3.94Å; K124-F224 HydrophobicContact CB-CD2 4.2Å; K124-F224 HydrophobicContact CB-CE1 3.76Å; K124-F224 HydrophobicContact CB-CE2 4.03Å; K124-F224 HydrophobicContact CB-CG 4.15Å; K124-F224 HydrophobicContact CB-CZ 3.79Å; K124-F224 HydrophobicContact CD-CB 3.52Å; K124-F224 HydrophobicContact CD-CD1 3.86Å; K124-F224 HydrophobicContact CD-CD2 3.89Å; K124-F224 HydrophobicContact CD-CG 3.49Å; K124-F224 VanDerWaalsContact CD-CG 3.49Å; K124-F224 HydrophobicContact CG-CG 4.48Å; K124-F224 PolarHBondContact NZ-O 3.41Å; K126-F224 HydrophobicContact CB-CE1 3.76Å; K126-F224 HydrophobicContact CB-CZ 4.39Å; A162-F224 HydrophobicContact CB-CE2 4.23Å; A162-F224 HydrophobicContact CB-CZ 4.01Å; A162-F224 WeakPolarHBondContact O-CZ 3.3Å; L220-F224 HydrophobicContact CD2-CD2 4.09Å; L220-F224 HydrophobicContact CD2-CE2 4.37Å; L220-F224 CarbonylContact O-C 3.59Å; L220-F224 WeakPolarHBondContact O-CA 3.33Å; L220-F224 WeakPolarHBondContact O-CB 3.42Å; L220-F224 PolarHBondContact O-N 2.84Å
225P89.5Confident87Confident34 Ų3450.2 Ų50.222%0.22131%0.306CS..  trans-60.6148.9-173.528.2-37.9000111.5E221 T227 H230E221-P225 WeakPolarHBondContact O-CA 3.28Å; E221-P225 WeakPolarHBondContact O-CB 3.48Å; E221-P225 WeakPolarHBondContact OE1-CA 3.47Å; P225-T227 PolarHBondContact O-N 3.2Å; P225-H230 HydrophobicContact CB-CB 4.38Å; P225-H230 HydrophobicContact CG-CB 4.44Å
226S78.4Confident87.2Confident103 Ų10350.5 Ų50.572%0.7231%0.309SS*.SBendtrans-71.6-18.5174.8-60.20000112.3E221E221-S226 PolarHBondContact OE1-N 2.97Å; E221-S226 PolarHBondContact OE2-OG 3.47Å
227T71.9Confident87.1Confident79 Ų7953.9 Ų53.949%0.48533%0.329SS..SBendtrans-110.4131.9175.857.40000111.3P225P225-T227 PolarHBondContact O-N 3.2Å
228V65.7Low87.1Confident110 Ų11051.8 Ų51.867%0.66731%0.31SS*.THydrogen-bonded Turntrans-50.4133.7176.5168.90000112G378V228-G378 WeakPolarHBondContact CB-OXT 3.26Å; V228-G378 WeakPolarHBondContact CG1-OXT 3.21Å; V228-G378 VanDerWaalsContact CG2-OXT 3.24Å; V228-G378 WeakPolarHBondContact CG2-OXT 3.46Å
229G62.5Low87.1Confident69 Ų6951.4 Ų51.471%0.71131%0.314SS*.THydrogen-bonded Turntrans86.513167.400000117.8
230H68.6Low86.9Confident152 Ų15256.9 Ų56.970%0.70434%0.344SS*.  trans-112.9-1.2-178.7-72.5-15.8000116P225P225-H230 HydrophobicContact CB-CB 4.38Å; P225-H230 HydrophobicContact CG-CB 4.44Å
231G82Confident86.9Confident22 Ų2256.5 Ų56.523%0.22734%0.342CS..SBendtrans-101.4167.2179.600000112.9G233G231-G233 PolarHBondContact O-N 3.18Å
232P90.5Very high87.1Confident2 Ų252.3 Ų52.31%0.01332%0.323CS..PPolyproline II helixtrans-54.9132.2167.3-25.435.9000111.3K126 T128 V130 F222 F223K126-P232 WeakPolarHBondContact CE-O 3.38Å; K126-P232 PolarHBondContact NZ-O 2.84Å; T128-P232 HydrophobicContact CG2-CB 4.11Å; T128-P232 WeakPolarHBondContact OG1-CB 3.19Å; V130-P232 HydrophobicContact CG1-CB 4.15Å; V130-P232 HydrophobicContact CG1-CG 4.01Å; F222-P232 HydrophobicContact CD1-CG 4.25Å; F222-P232 HydrophobicContact CE1-CG 3.63Å; F222-P232 HydrophobicContact CZ-CG 4.27Å; F222-P232 VanDerWaalsContact O-CD 3.28Å; F222-P232 WeakPolarHBondContact O-CD 3.49Å; F223-P232 HydrophobicContact CD1-CG 4.07Å; F223-P232 HydrophobicContact CE1-CG 4.06Å
233G90.6Very high87.3Confident51 Ų5149.8 Ų49.853%0.52631%0.312SS..PPolyproline II helixtrans-69.3156.1-179.700000112.6T128 G231T128-G233 VanDerWaalsContact CB-O 3.25Å; T128-G233 WeakPolarHBondContact CB-O 3.38Å; T128-G233 PolarHBondContact OG1-O 2.97Å; G231-G233 PolarHBondContact O-N 3.18Å
234N94.3Very high87.5Confident23 Ų2349.7 Ų49.712%0.12331%0.311CS..BIsolated β-bridgetrans-65.8164.2174.272.968000111.9K126 M127 A236 F373 D377K126-N234 HydrophobicContact CD-CB 4.46Å; K126-N234 HydrophobicContact CG-CB 4.49Å; M127-N234 WeakPolarHBondContact O-CA 3.32Å; N234-A236 VanDerWaalsContact C-N 3.34Å; N234-A236 WeakPolarHBondContact OD1-CA 3.34Å; N234-A236 WeakPolarHBondContact OD1-CB 3.42Å; N234-A236 PolarHBondContact OD1-N 3.1Å; N234-F373 HydrophobicContact CB-CD1 4.1Å; N234-F373 PolarHBondContact ND2-O 3.09Å; N234-D377 PolarHBondContact ND2-OD2 3.42Å
235T96.6Very high87.8Confident23 Ų2348.6 Ų48.614%0.14131%0.307CS..  trans-88.96.6-179.752.40000114.6M127 P159 V237 A271 A272M127-T235 HydrophobicContact CG-CG2 3.95Å; M127-T235 WeakPolarHBondContact CG-OG1 3.45Å; M127-T235 PolarHBondContact O-N 3.2Å; M127-T235 PolarHBondContact SD-OG1 2.9Å; P159-T235 HydrophobicContact CB-CG2 3.86Å; T235-V237 PolarHBondContact O-N 2.9Å; T235-A271 WeakPolarHBondContact CB-O 3.34Å; T235-A271 PolarHBondContact OG1-O 3.27Å; T235-A272 WeakPolarHBondContact OG1-CA 3.25Å
236A96Very high88.3Confident7 Ų747 Ų476%0.05830%0.296CS..  trans-65131.3-172.700000111.1N234 A272 E313 F373 R374N234-A236 VanDerWaalsContact C-N 3.34Å; N234-A236 WeakPolarHBondContact OD1-CA 3.34Å; N234-A236 WeakPolarHBondContact OD1-CB 3.42Å; N234-A236 PolarHBondContact OD1-N 3.1Å; A236-A272 HydrophobicContact CB-CB 3.76Å; A236-E313 WeakPolarHBondContact CA-OE2 3.33Å; A236-E313 WeakPolarHBondContact CB-OE2 3.39Å; A236-F373 HydrophobicContact CB-CB 3.5Å; A236-F373 VanDerWaalsContact CB-CB 3.5Å; A236-F373 HydrophobicContact CB-CD1 3.92Å; A236-F373 HydrophobicContact CB-CD2 3.94Å; A236-F373 HydrophobicContact CB-CG 3.53Å; A236-R374 PolarHBondContact O-NH2 3.35Å
237V93.1Very high89.2Confident72 Ų7242.2 Ų42.244%0.43626%0.263SS..  trans-92.6-37179.2-172.70000109.8T235 E239 E313T235-V237 PolarHBondContact O-N 2.9Å; V237-E239 VanDerWaalsContact C-N 3.33Å; V237-E239 HydrophobicContact CG1-CB 3.95Å; V237-E313 PolarHBondContact N-OE2 3.05Å
238C92.4Very high90.4Very high14 Ų1438.7 Ų38.710%0.09524%0.241CC..  trans61.739.3-175-500000112.3E313 V366 V369 Q370C238-E313 VanDerWaalsContact CA-OE1 3.31Å; C238-E313 WeakPolarHBondContact CA-OE1 3.36Å; C238-E313 PolarHBondContact N-OE1 3.43Å; C238-V366 HydrophobicContact CB-CG1 4.27Å; C238-V366 WeakPolarHBondContact O-CG1 3.13Å; C238-V369 HydrophobicContact CB-CG1 4.4Å; C238-Q370 HydrophobicContact CB-CG 3.73Å
239E91.6Very high91.9Very high121 Ų12134.1 Ų34.157%0.56521%0.212SC*.SBendtrans-145138-179.6-173.2176.5-154.600110.3V237 S241 Q315V237-E239 VanDerWaalsContact C-N 3.33Å; V237-E239 HydrophobicContact CG1-CB 3.95Å; E239-S241 WeakPolarHBondContact O-CB 3.43Å; E239-S241 PolarHBondContact O-N 3.07Å; E239-S241 VanDerWaalsContact O-N 3.12Å; E239-Q315 PolarHBondContact O-NE2 3.5Å
240D91.9Very high93.6Very high135 Ų13530.8 Ų30.872%0.72218%0.178SC*.SBendtrans44.843.7-179.2-67.1-31.6000112.9
241S95.9Very high94.9Very high4 Ų424.4 Ų24.43%0.02815%0.149CC..EExtended strand (participates in β ladder)trans-138.1164.9-171.264.90000112.5E239 E313 I314 S365E239-S241 WeakPolarHBondContact O-CB 3.43Å; E239-S241 PolarHBondContact O-N 3.07Å; E239-S241 VanDerWaalsContact O-N 3.12Å; S241-E313 VanDerWaalsContact CB-CG 3.45Å; S241-E313 VanDerWaalsContact CB-OE1 3.24Å; S241-E313 WeakPolarHBondContact CB-OE1 3.38Å; S241-E313 WeakPolarHBondContact OG-CG 2.91Å; S241-E313 PolarHBondContact OG-OE1 2.94Å; S241-I314 CarbonylContact C-O 3.51Å; S241-I314 WeakPolarHBondContact CA-O 3.37Å; S241-I314 VanDerWaalsContact CB-O 3.28Å; S241-I314 WeakPolarHBondContact CB-O 3.23Å; S241-S365 VanDerWaalsContact O-CB 3.27Å; S241-S365 WeakPolarHBondContact O-CB 3.37Å
242T97.4Very high95.3Very high0 Ų027.6 Ų27.60%017%0.173CC..EExtended strand (participates in β ladder)trans-129.8152.5173.5-177.50000110.1I314 I319 F323 T359T242-I314 HydrophobicContact CG2-CB 3.9Å; T242-I314 HydrophobicContact CG2-CG2 4.41Å; T242-I314 PolarHBondContact N-O 3.3Å; T242-I314 PolarHBondContact O-N 3.33Å; T242-I319 HydrophobicContact CG2-CD1 4.27Å; T242-I319 HydrophobicContact CG2-CG2 3.65Å; T242-F323 HydrophobicContact CG2-CB 3.86Å; T242-F323 HydrophobicContact CG2-CD1 3.72Å; T242-F323 HydrophobicContact CG2-CG 3.87Å; T242-T359 VanDerWaalsContact OG1-CB 3.28Å; T242-T359 WeakPolarHBondContact OG1-CB 3.48Å; T242-T359 PolarHBondContact OG1-OG1 2.83Å; T242-T359 VanDerWaalsContact OG1-OG1 3.07Å
243C97.9Very high95.4Very high0 Ų031.3 Ų31.30%019%0.19CC..EExtended strand (participates in β ladder)trans-84136.4174.6-173.90000110.3C358 T359 E368 V369C243-C358 WeakPolarHBondContact O-CA 3.33Å; C243-T359 WeakPolarHBondContact CB-OG1 3.41Å; C243-T359 PolarHBondContact N-OG1 3.21Å; C243-T359 PolarHBondContact O-N 3.46Å; C243-T359 VanDerWaalsContact O-N 3.14Å; C243-T359 PolarHBondContact O-OG1 3.5Å; C243-E368 HydrophobicContact CB-CB 3.55Å; C243-E368 WeakPolarHBondContact CB-OE2 3.23Å; C243-V369 HydrophobicContact CB-CG2 3.85Å
244C98.5Very high95.6Very high0 Ų030 Ų300%018%0.177CC..EExtended strand (participates in β ladder)trans-125.9133.1165.9-179.90000108.9V311 L312 I314 F323 H357C244-V311 CarbonylContact O-C 3.54Å; C244-V311 WeakPolarHBondContact O-CA 3.36Å; C244-L312 HydrophobicContact CB-CB 4.19Å; C244-L312 HydrophobicContact CB-CD1 4.48Å; C244-L312 PolarHBondContact N-O 3.38Å; C244-L312 PolarHBondContact O-N 3.4Å; C244-I314 HydrophobicContact CB-CG1 3.9Å; C244-F323 HydrophobicContact CB-CE1 3.53Å; C244-F323 HydrophobicContact CB-CZ 3.68Å; C244-H357 WeakPolarHBondContact CA-O 3.5Å
245I98.7Very high95.8Very high0 Ų029.9 Ų29.90%018%0.176CC..EExtended strand (participates in β ladder)trans-116.2116.5173.8-46176.6000108.4K247 F286 L304 C309 I310 V311 V356 H357 F372I245-K247 PolarHBondContact O-N 2.91Å; I245-F286 HydrophobicContact CD1-CD1 4.38Å; I245-F286 HydrophobicContact CD1-CE1 3.55Å; I245-F286 HydrophobicContact CD1-CE2 4.43Å; I245-F286 HydrophobicContact CD1-CZ 3.59Å; I245-L304 HydrophobicContact CG2-CD1 4.09Å; I245-C309 HydrophobicContact CG2-CB 3.67Å; I245-I310 CarbonylContact C-O 3.51Å; I245-I310 WeakPolarHBondContact CA-O 3.47Å; I245-V311 HydrophobicContact CG1-CG2 4.24Å; I245-V311 HydrophobicContact CG2-CG2 4.22Å; I245-V356 CarbonylContact O-C 3.53Å; I245-V356 VanDerWaalsContact O-CA 3.22Å; I245-V356 WeakPolarHBondContact O-CA 3.42Å; I245-H357 HydrophobicContact CB-CB 3.88Å; I245-H357 HydrophobicContact CD1-CB 4.19Å; I245-H357 HydrophobicContact CG1-CB 4.09Å; I245-H357 PolarHBondContact N-O 2.9Å; I245-H357 PolarHBondContact O-N 2.61Å; I245-F372 HydrophobicContact CD1-CE2 3.63Å; I245-F372 HydrophobicContact CD1-CZ 3.6Å; I245-F372 HydrophobicContact CG1-CE2 4.32Å
246I98.8Very high95.9Very high0 Ų028.8 Ų28.80%017%0.169CC..EExtended strand (participates in β ladder)trans-73.4112.2163.9-54.9179.8000106.9A250 I251 T256 I259 L260 C309 I310 L312I246-A250 HydrophobicContact CG2-CB 3.97Å; I246-I251 HydrophobicContact CG2-CG1 3.87Å; I246-T256 HydrophobicContact CD1-CG2 3.89Å; I246-I259 HydrophobicContact CD1-CB 4.28Å; I246-I259 HydrophobicContact CD1-CG2 3.88Å; I246-I259 HydrophobicContact CG1-CG2 4Å; I246-I259 HydrophobicContact CG2-CD1 3.89Å; I246-L260 HydrophobicContact CD1-CD2 4.16Å; I246-L260 HydrophobicContact CD1-CG 4.22Å; I246-C309 WeakPolarHBondContact O-CA 3.42Å; I246-C309 WeakPolarHBondContact O-CB 3.29Å; I246-I310 HydrophobicContact CB-CB 4.23Å; I246-I310 HydrophobicContact CD1-CB 4.45Å; I246-I310 HydrophobicContact CD1-CG2 4.36Å; I246-I310 PolarHBondContact N-O 2.81Å; I246-I310 PolarHBondContact O-N 2.84Å; I246-I310 VanDerWaalsContact O-N 3.11Å; I246-L312 HydrophobicContact CD1-CD1 4.17Å; I246-L312 HydrophobicContact CG1-CD1 4.34Å
247K98.4Very high96Very high3 Ų328.4 Ų28.41%0.01317%0.166CC..  trans-72.9157.5-171-71.5-174.6168.4-176.10112.5I245 H249 A250 I251 E303 V352 N354 A355I245-K247 PolarHBondContact O-N 2.91Å; K247-H249 PolarHBondContact O-N 3.4Å; K247-A250 WeakPolarHBondContact O-CB 3.2Å; K247-A250 PolarHBondContact O-N 3.36Å; K247-I251 PolarHBondContact O-N 2.79Å; K247-E303 HydrophobicContact CD-CG 4.35Å; K247-V352 PolarHBondContact NZ-O 3.18Å; K247-N354 WeakPolarHBondContact CD-OD1 3.47Å; K247-N354 VanDerWaalsContact CE-OD1 3.24Å; K247-N354 WeakPolarHBondContact CE-OD1 3.42Å; K247-N354 PolarHBondContact NZ-OD1 2.87Å; K247-A355 WeakPolarHBondContact CB-O 3.47Å; K247-A355 PolarHBondContact N-O 2.9Å
248P97.2Very high96.2Very high5 Ų529.6 Ų29.63%0.03217%0.166CC..Hα-helixtrans-54.1-43.9-176.6-31.840.3000115.7A250 I251 A252 E303 S306 G307 P308 C309P248-A250 VanDerWaalsContact C-N 3.26Å; P248-A250 PolarHBondContact O-N 2.83Å; P248-I251 PolarHBondContact O-N 3.15Å; P248-I251 VanDerWaalsContact O-N 3.13Å; P248-A252 WeakPolarHBondContact O-CB 2.97Å; P248-A252 PolarHBondContact O-N 2.77Å; P248-E303 VanDerWaalsContact CG-O 3.25Å; P248-E303 WeakPolarHBondContact CG-O 3.39Å; P248-S306 VanDerWaalsContact CB-OG 3.3Å; P248-S306 WeakPolarHBondContact CB-OG 3.19Å; P248-G307 WeakPolarHBondContact CG-O 3.48Å; P248-P308 VanDerWaalsContact CA-O 3.27Å; P248-P308 WeakPolarHBondContact CA-O 3.49Å; P248-P308 WeakPolarHBondContact CB-O 3.24Å; P248-P308 WeakPolarHBondContact CG-O 3.44Å; P248-C309 HydrophobicContact CG-CB 4.25Å
249H96.1Very high96.5Very high13 Ų1329 Ų296%0.0616%0.161CC..Hα-helixtrans-59.2-37.3176.474.3-74.1000112.7K247 I251 A252 E253 E303 R353 A355K247-H249 PolarHBondContact O-N 3.4Å; H249-I251 VanDerWaalsContact C-N 3.32Å; H249-I251 PolarHBondContact O-N 2.7Å; H249-A252 PolarHBondContact O-N 2.79Å; H249-E253 IonicContact CD2-OE1 3.72Å; H249-E253 WeakPolarHBondContact O-CB 3.45Å; H249-E253 VanDerWaalsContact O-CG 3.27Å; H249-E253 WeakPolarHBondContact O-CG 3.43Å; H249-E253 PolarHBondContact O-N 2.89Å; H249-E303 WeakPolarHBondContact CB-OE1 3.32Å; H249-E303 IonicContact CE1-OE1 2.83Å; H249-E303 IonicContact CG-OE1 3.86Å; H249-E303 PolarHBondContact N-OE1 2.66Å; H249-E303 IonicContact ND1-OE1 3.72Å; H249-E303 PolarHBondContact ND1-OE1 3.37Å; H249-R353 HydrophobicContact CB-CB 4.43Å; H249-R353 HydrophobicContact CB-CG 4.16Å; H249-R353 VanDerWaalsContact CE1-CA 3.46Å; H249-R353 WeakPolarHBondContact CE1-CA 3.4Å; H249-R353 PolarHBondContact NE2-O 2.92Å; H249-A355 WeakPolarHBondContact CE1-CA 3.33Å; H249-A355 PolarHBondContact CE1-N 3.41Å; H249-A355 VanDerWaalsContact NE2-CA 3.31Å; H249-A355 WeakPolarHBondContact NE2-CA 3.42Å; H249-A355 PolarHBondContact NE2-N 3.08Å
250A97.9Very high96.9Very high0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-68.7-34.2179.600000111.6I246 K247 P248 G254 L255 I259 A355I246-A250 HydrophobicContact CG2-CB 3.97Å; K247-A250 WeakPolarHBondContact O-CB 3.2Å; K247-A250 PolarHBondContact O-N 3.36Å; P248-A250 VanDerWaalsContact C-N 3.26Å; P248-A250 PolarHBondContact O-N 2.83Å; A250-G254 PolarHBondContact O-N 3.41Å; A250-L255 HydrophobicContact CB-CB 4.34Å; A250-L255 WeakPolarHBondContact O-CA 3.29Å; A250-L255 VanDerWaalsContact O-CB 3.31Å; A250-L255 WeakPolarHBondContact O-CB 3.35Å; A250-L255 PolarHBondContact O-N 3.07Å; A250-I259 HydrophobicContact CB-CD1 3.96Å; A250-A355 HydrophobicContact CB-CB 4.41Å
251I96.4Very high97.2Very high17 Ų1717.4 Ų17.49%0.08710%0.103CC..Hα-helixtrans-68.5-47.8172.7-59.9-166.2000110.5I246 K247 P248 H249 E253 G254 P308 I310I246-I251 HydrophobicContact CG2-CG1 3.87Å; K247-I251 PolarHBondContact O-N 2.79Å; P248-I251 PolarHBondContact O-N 3.15Å; P248-I251 VanDerWaalsContact O-N 3.13Å; H249-I251 VanDerWaalsContact C-N 3.32Å; H249-I251 PolarHBondContact O-N 2.7Å; I251-E253 PolarHBondContact O-N 3.18Å; I251-G254 PolarHBondContact O-N 3.38Å; I251-P308 WeakPolarHBondContact CD1-O 3.44Å; I251-P308 HydrophobicContact CG2-CG 4.38Å; I251-I310 HydrophobicContact CD1-CB 4.07Å; I251-I310 HydrophobicContact CD1-CD1 3.74Å; I251-I310 HydrophobicContact CD1-CG1 3.61Å
252A90Very high97.3Very high89 Ų8918.1 Ų18.174%0.73611%0.108SC*.Hα-helixtrans-59.3-32.9178.900000112.4P248 H249 G254P248-A252 WeakPolarHBondContact O-CB 2.97Å; P248-A252 PolarHBondContact O-N 2.77Å; H249-A252 PolarHBondContact O-N 2.79Å; A252-G254 VanDerWaalsContact C-N 3.27Å; A252-G254 PolarHBondContact O-N 2.67Å
253E93.7Very high97.3Very high80 Ų8018.1 Ų18.137%0.37411%0.108SC..THydrogen-bonded Turntrans-83.92.9176.1-69.5174.1-129.900114H249 I251 L255 K349H249-E253 IonicContact CD2-OE1 3.72Å; H249-E253 WeakPolarHBondContact O-CB 3.45Å; H249-E253 VanDerWaalsContact O-CG 3.27Å; H249-E253 WeakPolarHBondContact O-CG 3.43Å; H249-E253 PolarHBondContact O-N 2.89Å; I251-E253 PolarHBondContact O-N 3.18Å; E253-L255 VanDerWaalsContact C-N 3.29Å; E253-L255 HydrophobicContact CB-CD1 4Å; E253-L255 HydrophobicContact CB-CG 3.86Å; E253-L255 PolarHBondContact O-N 3.36Å; E253-K349 WeakPolarHBondContact OE1-CD 3.36Å; E253-K349 WeakPolarHBondContact OE1-CE 3.44Å; E253-K349 IonicContact OE1-NZ 3.97Å; E253-K349 PolarHBondContact OE1-NZ 3.44Å; E253-K349 WeakPolarHBondContact OE2-CE 3.26Å; E253-K349 IonicContact OE2-NZ 3.44Å; E253-K349 PolarHBondContact OE2-NZ 2.95Å
254G94.6Very high97.3Very high23 Ų2321.3 Ų21.324%0.23712%0.12CC..THydrogen-bonded Turntrans68.424.2-179.700000114Y116 A250 I251 A252Y116-G254 VanDerWaalsContact CD2-CA 3.47Å; A250-G254 PolarHBondContact O-N 3.41Å; I251-G254 PolarHBondContact O-N 3.38Å; A252-G254 VanDerWaalsContact C-N 3.27Å; A252-G254 PolarHBondContact O-N 2.67Å
255L98.3Very high97.2Very high21 Ų2127.5 Ų27.511%0.1115%0.149CC..  trans-85.4-9.4-176.4-57.6175.8000113.5A250 E253 G257 K258 I259 Y347A250-L255 HydrophobicContact CB-CB 4.34Å; A250-L255 WeakPolarHBondContact O-CA 3.29Å; A250-L255 VanDerWaalsContact O-CB 3.31Å; A250-L255 WeakPolarHBondContact O-CB 3.35Å; A250-L255 PolarHBondContact O-N 3.07Å; E253-L255 VanDerWaalsContact C-N 3.29Å; E253-L255 HydrophobicContact CB-CD1 4Å; E253-L255 HydrophobicContact CB-CG 3.86Å; E253-L255 PolarHBondContact O-N 3.36Å; L255-G257 VanDerWaalsContact C-N 3.29Å; L255-G257 PolarHBondContact O-N 3.4Å; L255-K258 HydrophobicContact CD2-CD 4.2Å; L255-K258 PolarHBondContact O-N 3Å; L255-K258 VanDerWaalsContact O-N 3.15Å; L255-I259 HydrophobicContact CB-CD1 4.15Å; L255-I259 WeakPolarHBondContact O-CG1 3.31Å; L255-I259 PolarHBondContact O-N 3.3Å; L255-Y347 HydrophobicContact CD2-CD1 4.4Å
256T98.5Very high97.1Very high0 Ų029.4 Ų29.40%017%0.165CC..Hα-helixtrans-48.9-49.6-179.3-49.20000112.2F112 Y116 I246 K258 I259 L260 I310F112-T256 HydrophobicContact CD1-CG2 3.79Å; F112-T256 HydrophobicContact CE1-CG2 4.03Å; F112-T256 HydrophobicContact CG-CG2 4.12Å; Y116-T256 WeakPolarHBondContact CE2-OG1 3.2Å; Y116-T256 PolarHBondContact OH-OG1 2.79Å; Y116-T256 VanDerWaalsContact OH-OG1 3.11Å; I246-T256 HydrophobicContact CD1-CG2 3.89Å; T256-K258 PolarHBondContact O-N 3.15Å; T256-I259 PolarHBondContact O-N 3.28Å; T256-L260 HydrophobicContact CG2-CD1 3.86Å; T256-L260 HydrophobicContact CG2-CG 4.34Å; T256-L260 VanDerWaalsContact O-CG 3.26Å; T256-L260 WeakPolarHBondContact O-CG 3.31Å; T256-L260 PolarHBondContact O-N 2.96Å; T256-I310 HydrophobicContact CG2-CD1 3.46Å; T256-I310 VanDerWaalsContact CG2-CD1 3.46Å
257G98.3Very high97Very high0 Ų040.3 Ų40.30%021%0.206CC..Hα-helixtrans-61.9-43.6-17700000113G109 L255 L260 N261G109-G257 WeakPolarHBondContact CA-O 3.44Å; G109-G257 WeakPolarHBondContact O-CA 3.24Å; L255-G257 VanDerWaalsContact C-N 3.29Å; L255-G257 PolarHBondContact O-N 3.4Å; G257-L260 PolarHBondContact O-N 3.11Å; G257-N261 WeakPolarHBondContact O-CB 3.41Å; G257-N261 PolarHBondContact O-N 3.24Å; G257-N261 PolarHBondContact O-ND2 3.32Å
258K98.5Very high97Very high97 Ų9741.4 Ų41.442%0.42221%0.211SC..Hα-helixtrans-62.9-43.8176.3-65.5179.5-179.4173.60112E113 L255 T256 N261 S262 Y347E113-K258 WeakPolarHBondContact OE1-CG 3.48Å; E113-K258 PolarHBondContact OE1-N 3.29Å; L255-K258 HydrophobicContact CD2-CD 4.2Å; L255-K258 PolarHBondContact O-N 3Å; L255-K258 VanDerWaalsContact O-N 3.15Å; T256-K258 PolarHBondContact O-N 3.15Å; K258-N261 PolarHBondContact O-N 3.01Å; K258-S262 PolarHBondContact O-N 2.97Å; K258-S262 PolarHBondContact O-OG 2.93Å; K258-S262 VanDerWaalsContact O-OG 3.11Å; K258-Y347 HydrophobicContact CB-CE1 3.83Å; K258-Y347 HydrophobicContact CD-CE1 4.15Å
259I98.8Very high97Very high0 Ų047 Ų470%024%0.235CC..Hα-helixtrans-62.8-47.5178.1-68.4165.2000110.5I246 A250 L255 T256 N261 S262 I263 Y347 A355 V356I246-I259 HydrophobicContact CD1-CB 4.28Å; I246-I259 HydrophobicContact CD1-CG2 3.88Å; I246-I259 HydrophobicContact CG1-CG2 4Å; I246-I259 HydrophobicContact CG2-CD1 3.89Å; A250-I259 HydrophobicContact CB-CD1 3.96Å; L255-I259 HydrophobicContact CB-CD1 4.15Å; L255-I259 WeakPolarHBondContact O-CG1 3.31Å; L255-I259 PolarHBondContact O-N 3.3Å; T256-I259 PolarHBondContact O-N 3.28Å; I259-N261 VanDerWaalsContact C-N 3.3Å; I259-N261 PolarHBondContact O-N 3.1Å; I259-S262 PolarHBondContact O-N 3.46Å; I259-I263 HydrophobicContact CG2-CD1 4.03Å; I259-I263 WeakPolarHBondContact O-CG1 3.37Å; I259-I263 PolarHBondContact O-N 3.1Å; I259-Y347 HydrophobicContact CD1-CD2 4.32Å; I259-Y347 HydrophobicContact CG1-CD2 3.48Å; I259-Y347 VanDerWaalsContact CG1-CD2 3.48Å; I259-Y347 HydrophobicContact CG1-CE2 3.83Å; I259-Y347 HydrophobicContact CG1-CG 4.01Å; I259-A355 HydrophobicContact CD1-CB 4.4Å; I259-V356 HydrophobicContact CD1-CG1 4.23Å; I259-V356 HydrophobicContact CG2-CG1 4Å
260L98.6Very high97.1Very high2 Ų248 Ų481%0.0124%0.24CC..Hα-helixtrans-60.7-40.2177-68.1172000111.7I108 F112 I246 T256 G257 I263 R264 I270 L273 L312I108-L260 HydrophobicContact CG1-CD1 4.43Å; I108-L260 HydrophobicContact CG2-CD1 4.28Å; F112-L260 HydrophobicContact CD2-CD1 3.75Å; F112-L260 HydrophobicContact CE2-CD1 4.1Å; F112-L260 HydrophobicContact CG-CD1 4.29Å; I246-L260 HydrophobicContact CD1-CD2 4.16Å; I246-L260 HydrophobicContact CD1-CG 4.22Å; T256-L260 HydrophobicContact CG2-CD1 3.86Å; T256-L260 HydrophobicContact CG2-CG 4.34Å; T256-L260 VanDerWaalsContact O-CG 3.26Å; T256-L260 WeakPolarHBondContact O-CG 3.31Å; T256-L260 PolarHBondContact O-N 2.96Å; G257-L260 PolarHBondContact O-N 3.11Å; L260-I263 PolarHBondContact O-N 3.44Å; L260-R264 PolarHBondContact O-N 2.86Å; L260-I270 HydrophobicContact CD2-CD1 3.61Å; L260-L273 HydrophobicContact CD1-CD1 4.36Å; L260-L273 HydrophobicContact CD2-CD1 4.16Å; L260-L312 HydrophobicContact CD2-CD1 3.79Å; L260-L312 HydrophobicContact CD2-CD2 4.07Å
261N98.4Very high97Very high11 Ų1148.3 Ų48.36%0.05924%0.243CC..Hα-helixtrans-64-43.3175.3-79.7-21000112.1G109 D110 E113 G257 K258 I259 I263 R264 E265G109-N261 WeakPolarHBondContact CA-OD1 3.44Å; D110-N261 PolarHBondContact N-OD1 3.41Å; D110-N261 PolarHBondContact OD1-ND2 3.07Å; D110-N261 PolarHBondContact OD1-OD1 3.22Å; E113-N261 PolarHBondContact OE1-ND2 3.27Å; G257-N261 WeakPolarHBondContact O-CB 3.41Å; G257-N261 PolarHBondContact O-N 3.24Å; G257-N261 PolarHBondContact O-ND2 3.32Å; K258-N261 PolarHBondContact O-N 3.01Å; I259-N261 VanDerWaalsContact C-N 3.3Å; I259-N261 PolarHBondContact O-N 3.1Å; N261-I263 PolarHBondContact O-N 2.85Å; N261-R264 WeakPolarHBondContact O-CB 3.35Å; N261-R264 PolarHBondContact O-N 3.28Å; N261-R264 VanDerWaalsContact OD1-CZ 3.24Å; N261-R264 PolarHBondContact OD1-NH1 3.26Å; N261-R264 PolarHBondContact OD1-NH2 2.9Å; N261-E265 WeakPolarHBondContact O-CB 3.23Å; N261-E265 VanDerWaalsContact O-CG 3.29Å; N261-E265 WeakPolarHBondContact O-CG 3.44Å; N261-E265 PolarHBondContact O-N 3.4Å
262S98.4Very high97.1Very high19 Ų1947.5 Ų47.513%0.13324%0.239CC..Hα-helixtrans-62.7-40.5175.2-62.50000112.7K258 I259 E265 A266 L343 Y347K258-S262 PolarHBondContact O-N 2.97Å; K258-S262 PolarHBondContact O-OG 2.93Å; K258-S262 VanDerWaalsContact O-OG 3.11Å; I259-S262 PolarHBondContact O-N 3.46Å; S262-E265 PolarHBondContact O-N 3.32Å; S262-A266 WeakPolarHBondContact O-CB 3.44Å; S262-A266 PolarHBondContact O-N 3.05Å; S262-L343 VanDerWaalsContact CB-CD2 3.48Å; S262-Y347 PolarHBondContact OG-OH 2.6Å
263I98.3Very high97.5Very high0 Ų043.3 Ų43.30%020%0.204CC..Hα-helixtrans-61.4-46.3175.4-69170.6000110.7I259 L260 N261 A266 R267 F268 I270 L312 I314 F323 L326 L343I259-I263 HydrophobicContact CG2-CD1 4.03Å; I259-I263 WeakPolarHBondContact O-CG1 3.37Å; I259-I263 PolarHBondContact O-N 3.1Å; L260-I263 PolarHBondContact O-N 3.44Å; N261-I263 PolarHBondContact O-N 2.85Å; I263-A266 PolarHBondContact O-N 3.42Å; I263-R267 PolarHBondContact O-N 2.96Å; I263-F268 HydrophobicContact CG2-CB 3.8Å; I263-F268 PolarHBondContact O-N 2.94Å; I263-I270 HydrophobicContact CG2-CD1 4.4Å; I263-I270 HydrophobicContact CG2-CG1 4.14Å; I263-L312 HydrophobicContact CD1-CD1 3.74Å; I263-I314 HydrophobicContact CD1-CD1 4.47Å; I263-I314 HydrophobicContact CG2-CD1 4.04Å; I263-F323 HydrophobicContact CD1-CE2 4.4Å; I263-F323 HydrophobicContact CD1-CZ 4.22Å; I263-F323 HydrophobicContact CG1-CE2 4.15Å; I263-F323 HydrophobicContact CG1-CZ 4.38Å; I263-F323 HydrophobicContact CG2-CE2 4.35Å; I263-L326 HydrophobicContact CG1-CD2 4.35Å; I263-L343 HydrophobicContact CG1-CD1 4.11Å
264R96.5Very high97.7Very high68 Ų6840.3 Ų40.326%0.25719%0.19SC..Hα-helixtrans-60.7-46175.6171.8-161.971.6-170-5.7112.2N106 D110 L260 N261 A266 R267N106-R264 WeakPolarHBondContact O-CD 3.33Å; N106-R264 PolarHBondContact O-NH1 3.22Å; D110-R264 IonicContact OD2-CZ 3.77Å; D110-R264 IonicContact OD2-NH1 3.99Å; D110-R264 PolarHBondContact OD2-NH1 3.26Å; L260-R264 PolarHBondContact O-N 2.86Å; N261-R264 WeakPolarHBondContact O-CB 3.35Å; N261-R264 PolarHBondContact O-N 3.28Å; N261-R264 VanDerWaalsContact OD1-CZ 3.24Å; N261-R264 PolarHBondContact OD1-NH1 3.26Å; N261-R264 PolarHBondContact OD1-NH2 2.9Å; R264-A266 VanDerWaalsContact C-N 3.25Å; R264-A266 PolarHBondContact O-N 3.39Å; R264-R267 WeakPolarHBondContact O-CA 3.24Å; R264-R267 PolarHBondContact O-N 3.18Å
265E97.3Very high97.9Very high129 Ų12939.9 Ų39.960%0.60318%0.183SC*.Hα-helixtrans-64-33.2-178.9-77.5161.5-158.900112.1N261 S262 R267N261-E265 WeakPolarHBondContact O-CB 3.23Å; N261-E265 VanDerWaalsContact O-CG 3.29Å; N261-E265 WeakPolarHBondContact O-CG 3.44Å; N261-E265 PolarHBondContact O-N 3.4Å; S262-E265 PolarHBondContact O-N 3.32Å; E265-R267 PolarHBondContact O-N 2.93Å
266A97.1Very high97.7Very high41 Ų4139.7 Ų39.734%0.33918%0.181SC..THydrogen-bonded Turntrans-74.34.2169.700000114S262 I263 R264 F268 L326S262-A266 WeakPolarHBondContact O-CB 3.44Å; S262-A266 PolarHBondContact O-N 3.05Å; I263-A266 PolarHBondContact O-N 3.42Å; R264-A266 VanDerWaalsContact C-N 3.25Å; R264-A266 PolarHBondContact O-N 3.39Å; A266-F268 VanDerWaalsContact C-N 3.28Å; A266-F268 HydrophobicContact CB-CD2 3.72Å; A266-F268 HydrophobicContact CB-CE2 3.9Å; A266-F268 PolarHBondContact O-N 2.98Å; A266-L326 HydrophobicContact CB-CD1 3.71Å; A266-L326 HydrophobicContact CB-CD2 3.65Å; A266-L326 HydrophobicContact CB-CG 4.27Å
267R96.9Very high97.4Very high228 Ų22842.8 Ų42.886%0.8620%0.197SC*.THydrogen-bonded Turntrans6523.7175.7-52.5-177.3177.8173.5-0.9115I263 R264 E265I263-R267 PolarHBondContact O-N 2.96Å; R264-R267 WeakPolarHBondContact O-CA 3.24Å; R264-R267 PolarHBondContact O-N 3.18Å; E265-R267 PolarHBondContact O-N 2.93Å
268F97.4Very high97Very high27 Ų2743 Ų4312%0.11820%0.199CC..  trans-79.7144.9168.1-69.7-78.7000110.6I263 A266 I314 I319 S322 F323 L326I263-F268 HydrophobicContact CG2-CB 3.8Å; I263-F268 PolarHBondContact O-N 2.94Å; A266-F268 VanDerWaalsContact C-N 3.28Å; A266-F268 HydrophobicContact CB-CD2 3.72Å; A266-F268 HydrophobicContact CB-CE2 3.9Å; A266-F268 PolarHBondContact O-N 2.98Å; F268-I314 HydrophobicContact CB-CG2 3.75Å; F268-I314 HydrophobicContact CD1-CG2 3.8Å; F268-I314 HydrophobicContact CG-CG2 4Å; F268-I319 HydrophobicContact CD1-CD1 4.2Å; F268-I319 HydrophobicContact CE1-CD1 4.26Å; F268-I319 HydrophobicContact CE1-CG1 4.25Å; F268-S322 WeakPolarHBondContact CE1-OG 3.41Å; F268-F323 AromaticContact CD1-CD2 3.97Å; F268-F323 HydrophobicContact CD1-CD2 3.97Å; F268-F323 AromaticContact CD2-CD2 3.96Å; F268-F323 HydrophobicContact CD2-CD2 3.96Å; F268-F323 HydrophobicContact CD2-CE2 4.41Å; F268-F323 HydrophobicContact CE1-CB 4.02Å; F268-F323 HydrophobicContact CE1-CD2 4.04Å; F268-F323 HydrophobicContact CE2-CD2 4.03Å; F268-F323 AromaticContact CG-CD2 3.93Å; F268-F323 HydrophobicContact CG-CD2 3.93Å; F268-F323 HydrophobicContact CG-CE2 4.43Å; F268-F323 HydrophobicContact CZ-CB 4.14Å; F268-F323 HydrophobicContact CZ-CD2 4.07Å; F268-L326 HydrophobicContact CD2-CD2 3.68Å; F268-L326 HydrophobicContact CE2-CB 4.13Å; F268-L326 HydrophobicContact CE2-CD2 3.69Å; F268-L326 HydrophobicContact CE2-CG 4.48Å
269K96.5Very high96.4Very high122 Ų12241.6 Ų41.653%0.5320%0.195SC..EExtended strand (participates in β ladder)trans-94.9128.2174.6177.9-171.3168.4-152.60108.8A271 I314 Q315K269-A271 PolarHBondContact O-N 3.44Å; K269-I314 WeakPolarHBondContact O-CA 3.49Å; K269-Q315 HydrophobicContact CB-CB 4.28Å; K269-Q315 PolarHBondContact N-O 3.37Å; K269-Q315 PolarHBondContact O-N 3.46Å
270I97.8Very high95.8Very high33 Ų3346.1 Ų46.117%0.16921%0.213CC..EExtended strand (participates in β ladder)trans-84.9108.5168.2-58.1173.4000106.9M127 L260 I263 A272 L273 L312 I314M127-I270 HydrophobicContact CE-CG2 4.02Å; L260-I270 HydrophobicContact CD2-CD1 3.61Å; I263-I270 HydrophobicContact CG2-CD1 4.4Å; I263-I270 HydrophobicContact CG2-CG1 4.14Å; I270-A272 VanDerWaalsContact CG2-O 3.31Å; I270-A272 WeakPolarHBondContact CG2-O 3.38Å; I270-L273 HydrophobicContact CG2-CB 4.25Å; I270-L312 HydrophobicContact CG2-CD2 4.19Å; I270-I314 HydrophobicContact CG1-CD1 3.9Å
271A97.3Very high95.3Very high8 Ų848.8 Ų48.87%0.06624%0.236CC..EExtended strand (participates in β ladder)trans-84.7-31.8-179.600000112T235 K269 E313 Q315T235-A271 WeakPolarHBondContact CB-O 3.34Å; T235-A271 PolarHBondContact OG1-O 3.27Å; K269-A271 PolarHBondContact O-N 3.44Å; A271-E313 HydrophobicContact CB-CB 4.28Å; A271-E313 HydrophobicContact CB-CG 4.05Å; A271-E313 PolarHBondContact N-O 3.26Å; A271-Q315 HydrophobicContact CB-CG 3.99Å
272A98.1Very high95.1Very high0 Ų050.2 Ų50.20%024%0.243CC..EExtended strand (participates in β ladder)trans-146.7153.3172.200000111T235 A236 I270 L312 E313 F373T235-A272 WeakPolarHBondContact OG1-CA 3.25Å; A236-A272 HydrophobicContact CB-CB 3.76Å; I270-A272 VanDerWaalsContact CG2-O 3.31Å; I270-A272 WeakPolarHBondContact CG2-O 3.38Å; A272-L312 WeakPolarHBondContact O-CA 3.47Å; A272-E313 HydrophobicContact CB-CB 3.91Å; A272-E313 PolarHBondContact O-N 3.03Å; A272-F373 HydrophobicContact CB-CD1 4.29Å; A272-F373 HydrophobicContact CB-CE1 3.73Å; A272-F373 HydrophobicContact CB-CE2 4.28Å; A272-F373 HydrophobicContact CB-CZ 3.73Å
273L98.2Very high94.8Very high0 Ų049.3 Ų49.30%024%0.237CC..EExtended strand (participates in β ladder)trans-143.6130.4176.1176.7156.2000108.1I108 A125 K126 M127 V161 L260 I270 I310 V311 L312I108-L273 HydrophobicContact CD1-CD1 3.98Å; A125-L273 HydrophobicContact CB-CD2 3.96Å; K126-L273 CarbonylContact C-O 3.13Å; K126-L273 WeakPolarHBondContact CA-O 3.22Å; M127-L273 HydrophobicContact CB-CB 4.18Å; M127-L273 HydrophobicContact CE-CB 4.15Å; M127-L273 PolarHBondContact N-O 3.04Å; V161-L273 HydrophobicContact CG1-CD2 4.4Å; L260-L273 HydrophobicContact CD1-CD1 4.36Å; L260-L273 HydrophobicContact CD2-CD1 4.16Å; I270-L273 HydrophobicContact CG2-CB 4.25Å; L273-I310 HydrophobicContact CD1-CG2 4.2Å; L273-I310 HydrophobicContact CD2-CG2 4.26Å; L273-I310 HydrophobicContact CG-CG2 3.82Å; L273-V311 WeakPolarHBondContact CA-O 3.42Å; L273-L312 HydrophobicContact CB-CD2 3.73Å; L273-L312 HydrophobicContact CD1-CD2 3.58Å; L273-L312 HydrophobicContact CG-CD2 3.52Å
274Q98.1Very high94.7Very high18 Ų1852.4 Ų52.48%0.08425%0.251CS..EExtended strand (participates in β ladder)trans-150.7142.8172.2179.9164.2-20.900112A125 F276 I310 V311 F373 D377A125-Q274 CarbonylContact O-C 2.88Å; A125-Q274 VanDerWaalsContact O-CA 3.3Å; A125-Q274 WeakPolarHBondContact O-CA 3.37Å; Q274-F276 HydrophobicContact CB-CD2 4.27Å; Q274-F276 HydrophobicContact CB-CE2 3.51Å; Q274-F276 HydrophobicContact CB-CZ 3.94Å; Q274-F276 VanDerWaalsContact CD-CZ 3.47Å; Q274-F276 HydrophobicContact CG-CD2 4.06Å; Q274-F276 HydrophobicContact CG-CE1 4.24Å; Q274-F276 HydrophobicContact CG-CE2 3.49Å; Q274-F276 VanDerWaalsContact CG-CE2 3.49Å; Q274-F276 HydrophobicContact CG-CZ 3.59Å; Q274-F276 WeakPolarHBondContact O-CD2 3.21Å; Q274-I310 WeakPolarHBondContact O-CA 3.49Å; Q274-V311 PolarHBondContact N-O 3.4Å; Q274-V311 PolarHBondContact O-N 3.07Å; Q274-F373 HydrophobicContact CB-CD1 4.42Å; Q274-F373 HydrophobicContact CB-CE1 3.64Å; Q274-F373 HydrophobicContact CB-CZ 4.37Å; Q274-D377 PolarHBondContact NE2-OD1 3.2Å; Q274-D377 PolarHBondContact OE1-OD1 3.41Å
275L97.6Very high94.6Very high14 Ų1454.3 Ų54.37%0.07326%0.263CS..EExtended strand (participates in β ladder)trans-89.8129.6174.5-174156.5000109.7V122 T123 A125 P308 C309 I310V122-L275 HydrophobicContact CG1-CD1 4.21Å; V122-L275 VanDerWaalsContact O-CD1 3.31Å; V122-L275 WeakPolarHBondContact O-CD1 3.41Å; T123-L275 WeakPolarHBondContact O-CD2 3.14Å; A125-L275 HydrophobicContact CB-CB 3.99Å; A125-L275 PolarHBondContact O-N 2.91Å; L275-P308 HydrophobicContact CD1-CB 4.24Å; L275-P308 HydrophobicContact CD2-CB 3.75Å; L275-P308 HydrophobicContact CG-CB 4.07Å; L275-C309 CarbonylContact C-O 3.58Å; L275-C309 WeakPolarHBondContact CA-O 3.43Å; L275-I310 HydrophobicContact CB-CG1 4.09Å; L275-I310 HydrophobicContact CD1-CG1 4.3Å; L275-I310 HydrophobicContact CG-CG1 4.23Å
276F95.8Very high94.5Very high17 Ų1749 Ų498%0.07524%0.238CC..EExtended strand (participates in β ladder)trans-124151.1178.5-64.8-93.5000111.4Q274 I278 P308 C309 V311 F372 L376Q274-F276 HydrophobicContact CB-CD2 4.27Å; Q274-F276 HydrophobicContact CB-CE2 3.51Å; Q274-F276 HydrophobicContact CB-CZ 3.94Å; Q274-F276 VanDerWaalsContact CD-CZ 3.47Å; Q274-F276 HydrophobicContact CG-CD2 4.06Å; Q274-F276 HydrophobicContact CG-CE1 4.24Å; Q274-F276 HydrophobicContact CG-CE2 3.49Å; Q274-F276 VanDerWaalsContact CG-CE2 3.49Å; Q274-F276 HydrophobicContact CG-CZ 3.59Å; Q274-F276 WeakPolarHBondContact O-CD2 3.21Å; F276-I278 HydrophobicContact CB-CD1 3.52Å; F276-I278 HydrophobicContact CB-CG1 4.22Å; F276-I278 HydrophobicContact CG-CD1 4.25Å; F276-P308 CarbonylContact O-C 3.54Å; F276-P308 VanDerWaalsContact O-CA 3.32Å; F276-P308 WeakPolarHBondContact O-CA 3.28Å; F276-C309 PolarHBondContact N-O 3.15Å; F276-C309 PolarHBondContact O-N 3.39Å; F276-V311 HydrophobicContact CD2-CB 3.91Å; F276-V311 HydrophobicContact CD2-CG2 3.53Å; F276-V311 HydrophobicContact CE2-CB 3.83Å; F276-V311 HydrophobicContact CE2-CG2 3.91Å; F276-V311 HydrophobicContact CG-CG2 4.45Å; F276-F372 HydrophobicContact CD2-CD1 4.28Å; F276-F372 HydrophobicContact CE2-CB 4.12Å; F276-F372 HydrophobicContact CE2-CD1 4.36Å; F276-F372 HydrophobicContact CG-CD1 4.36Å; F276-F372 HydrophobicContact CZ-CB 4.02Å; F276-F372 WeakPolarHBondContact CZ-O 2.96Å; F276-L376 HydrophobicContact CE1-CB 4.24Å
277N90.8Very high94.4Very high65 Ų6547.1 Ų47.135%0.34822%0.222SC..EExtended strand (participates in β ladder)trans-113.1107.6164.1-70.9-82.3000107.1
278I90.3Very high94.3Very high5 Ų542.3 Ų42.33%0.02621%0.21CC..  trans-91.5127.9-171.7-52.1-57.8000109.4Q74 F276 N282 A283 L304 F372 L376Q74-I278 PolarHBondContact NE2-O 3.34Å; F276-I278 HydrophobicContact CB-CD1 3.52Å; F276-I278 HydrophobicContact CB-CG1 4.22Å; F276-I278 HydrophobicContact CG-CD1 4.25Å; I278-N282 HydrophobicContact CG2-CB 3.88Å; I278-A283 HydrophobicContact CG2-CB 3.86Å; I278-L304 HydrophobicContact CB-CG 4.28Å; I278-L304 HydrophobicContact CG1-CD1 4.5Å; I278-L304 HydrophobicContact CG1-CG 4.33Å; I278-L304 HydrophobicContact CG2-CD2 4.33Å; I278-L304 HydrophobicContact CG2-CG 4.42Å; I278-F372 HydrophobicContact CD1-CD1 4.19Å; I278-F372 HydrophobicContact CD1-CE1 3.62Å; I278-F372 HydrophobicContact CG1-CE1 4.21Å; I278-L376 HydrophobicContact CD1-CD1 3.92Å
279D86.3Confident94Very high66 Ų6645.4 Ų45.435%0.35323%0.226SC..  trans-79.9170.1171.567.651.6000111.6A281 N282 A283 C305D279-A281 VanDerWaalsContact C-N 3.34Å; D279-A281 PolarHBondContact O-N 3.24Å; D279-A281 PolarHBondContact OD1-N 3.06Å; D279-N282 VanDerWaalsContact CG-ND2 3.31Å; D279-N282 PolarHBondContact O-N 2.93Å; D279-N282 WeakPolarHBondContact OD1-CB 3.49Å; D279-N282 PolarHBondContact OD1-N 2.88Å; D279-N282 PolarHBondContact OD1-ND2 3.12Å; D279-N282 PolarHBondContact OD2-ND2 2.91Å; D279-A283 WeakPolarHBondContact O-CB 3.32Å; D279-A283 PolarHBondContact O-N 3.32Å; D279-C305 VanDerWaalsContact C-SG 3.51Å; D279-C305 PolarHBondContact O-SG 3.44Å; D279-C305 VanDerWaalsContact O-SG 3.37Å
280Y85.2Confident93.8Very high95 Ų9540.7 Ų40.737%0.37321%0.206SC..Hα-helixtrans-63.4-38.2-174.4-161.3-91.2000113.4A283 E284 V301 C305Y280-A283 PolarHBondContact O-N 3.48Å; Y280-E284 HydrophobicContact CD1-CG 3.92Å; Y280-E284 HydrophobicContact CE1-CG 3.63Å; Y280-E284 WeakPolarHBondContact CE1-OE2 3.42Å; Y280-E284 WeakPolarHBondContact O-CB 3.4Å; Y280-E284 PolarHBondContact O-N 3.43Å; Y280-V301 HydrophobicContact CD2-CG1 3.91Å; Y280-V301 HydrophobicContact CE1-CG1 4.26Å; Y280-V301 HydrophobicContact CE2-CG1 3.58Å; Y280-V301 HydrophobicContact CG-CG1 4.37Å; Y280-C305 VanDerWaalsContact CA-SG 3.54Å
281A89.1Confident93.6Very high59 Ų5944.7 Ų44.749%0.48822%0.222SC..Hα-helixtrans-68.3-45.6-177.500000110.6D279 A283 E284 E285D279-A281 VanDerWaalsContact C-N 3.34Å; D279-A281 PolarHBondContact O-N 3.24Å; D279-A281 PolarHBondContact OD1-N 3.06Å; A281-A283 VanDerWaalsContact C-N 3.34Å; A281-A283 PolarHBondContact O-N 3.42Å; A281-E284 PolarHBondContact O-N 3.17Å; A281-E285 WeakPolarHBondContact O-CB 3.35Å; A281-E285 PolarHBondContact O-N 2.75Å
282N93.4Very high93.4Very high41 Ų4148.2 Ų48.222%0.21926%0.259CS..Hα-helixtrans-65.5-36.4176.8-70.7-35.3000111.9I278 D279 F286 Y371 L376I278-N282 HydrophobicContact CG2-CB 3.88Å; D279-N282 VanDerWaalsContact CG-ND2 3.31Å; D279-N282 PolarHBondContact O-N 2.93Å; D279-N282 WeakPolarHBondContact OD1-CB 3.49Å; D279-N282 PolarHBondContact OD1-N 2.88Å; D279-N282 PolarHBondContact OD1-ND2 3.12Å; D279-N282 PolarHBondContact OD2-ND2 2.91Å; N282-F286 VanDerWaalsContact O-CB 3.28Å; N282-F286 WeakPolarHBondContact O-CB 3.46Å; N282-F286 PolarHBondContact O-N 3.28Å; N282-Y371 VanDerWaalsContact CA-OH 3.27Å; N282-Y371 WeakPolarHBondContact CA-OH 3.35Å; N282-Y371 WeakPolarHBondContact CB-OH 3.45Å; N282-Y371 PolarHBondContact O-OH 3.25Å; N282-Y371 VanDerWaalsContact O-OH 3.09Å; N282-Y371 PolarHBondContact OD1-OH 3.04Å; N282-L376 HydrophobicContact CB-CD2 4.37Å
283A93.8Very high93.1Very high0 Ų053.6 Ų53.60%029%0.291CS..Hα-helixtrans-69.8-37.9174.700000113.1I278 D279 Y280 A281 Y287 V301 L304 C305I278-A283 HydrophobicContact CG2-CB 3.86Å; D279-A283 WeakPolarHBondContact O-CB 3.32Å; D279-A283 PolarHBondContact O-N 3.32Å; Y280-A283 PolarHBondContact O-N 3.48Å; A281-A283 VanDerWaalsContact C-N 3.34Å; A281-A283 PolarHBondContact O-N 3.42Å; A283-Y287 PolarHBondContact O-N 2.96Å; A283-Y287 VanDerWaalsContact O-N 3.1Å; A283-V301 HydrophobicContact CB-CG1 3.9Å; A283-L304 HydrophobicContact CB-CB 4.45Å; A283-L304 HydrophobicContact CB-CD2 4.08Å; A283-L304 HydrophobicContact CB-CG 4.46Å; A283-C305 WeakPolarHBondContact CB-SG 3.39Å
284E94.3Very high92.8Very high64 Ų6455.8 Ų55.830%0.29931%0.305SS..Hα-helixtrans-65.1-43.3174.6-82.8-162.9109.800111.9Y280 A281 Y287 E288 K291 V301Y280-E284 HydrophobicContact CD1-CG 3.92Å; Y280-E284 HydrophobicContact CE1-CG 3.63Å; Y280-E284 WeakPolarHBondContact CE1-OE2 3.42Å; Y280-E284 WeakPolarHBondContact O-CB 3.4Å; Y280-E284 PolarHBondContact O-N 3.43Å; A281-E284 PolarHBondContact O-N 3.17Å; E284-Y287 PolarHBondContact O-N 2.95Å; E284-E288 WeakPolarHBondContact O-CA 3.41Å; E284-E288 PolarHBondContact O-N 2.93Å; E284-K291 IonicContact OE1-NZ 2.67Å; E284-V301 HydrophobicContact CG-CG1 3.85Å; E284-V301 HydrophobicContact CG-CG2 4.3Å
285E95Very high92.6Very high108 Ų10861 Ų6151%0.50534%0.338SS..Hα-helixtrans-61-50.5175.5-177-177.8-162.400110.5A281 Y287 E288 Y371A281-E285 WeakPolarHBondContact O-CB 3.35Å; A281-E285 PolarHBondContact O-N 2.75Å; E285-Y287 VanDerWaalsContact C-N 3.31Å; E285-Y287 PolarHBondContact O-N 3.2Å; E285-E288 WeakPolarHBondContact O-CB 3.38Å; E285-E288 PolarHBondContact O-N 2.89Å; E285-E288 VanDerWaalsContact O-N 3.15Å; E285-Y371 HydrophobicContact CG-CE2 4.17Å; E285-Y371 WeakPolarHBondContact OE2-CE2 3.31Å; E285-Y371 PolarHBondContact OE2-OH 2.94Å
286F95.6Very high92.5Very high19 Ų1962.5 Ų62.58%0.08334%0.344CS..Hα-helixtrans-57.4-41.9179.3179.3-105.3000113I245 N282 L304 H357 E368 Y371 F372I245-F286 HydrophobicContact CD1-CD1 4.38Å; I245-F286 HydrophobicContact CD1-CE1 3.55Å; I245-F286 HydrophobicContact CD1-CE2 4.43Å; I245-F286 HydrophobicContact CD1-CZ 3.59Å; N282-F286 VanDerWaalsContact O-CB 3.28Å; N282-F286 WeakPolarHBondContact O-CB 3.46Å; N282-F286 PolarHBondContact O-N 3.28Å; F286-L304 HydrophobicContact CD1-CD2 4.04Å; F286-H357 AromaticContact CE1-CD2 3.88Å; F286-H357 AromaticContact CE1-NE2 3.84Å; F286-H357 AromaticContact CZ-CD2 3.62Å; F286-H357 AromaticContact CZ-NE2 3.49Å; F286-H357 WeakPolarHBondContact CZ-NE2 3.3Å; F286-E368 HydrophobicContact CE2-CB 4.01Å; F286-E368 HydrophobicContact CE2-CG 3.74Å; F286-E368 HydrophobicContact CZ-CG 4.21Å; F286-Y371 HydrophobicContact CB-CD1 4.49Å; F286-Y371 HydrophobicContact CB-CE1 3.99Å; F286-Y371 AromaticContact CD2-CD1 3.91Å; F286-Y371 HydrophobicContact CD2-CD1 3.91Å; F286-Y371 HydrophobicContact CD2-CE1 4.24Å; F286-F372 HydrophobicContact CD1-CZ 4.49Å; F286-F372 AromaticContact CD2-CE2 3.68Å; F286-F372 HydrophobicContact CD2-CE2 3.68Å; F286-F372 AromaticContact CD2-CZ 3.93Å; F286-F372 HydrophobicContact CD2-CZ 3.93Å; F286-F372 HydrophobicContact CE2-CD2 4.39Å; F286-F372 AromaticContact CE2-CE2 3.41Å; F286-F372 HydrophobicContact CE2-CE2 3.41Å; F286-F372 VanDerWaalsContact CE2-CE2 3.41Å; F286-F372 HydrophobicContact CE2-CZ 4.03Å; F286-F372 HydrophobicContact CG-CE2 4.36Å; F286-F372 HydrophobicContact CG-CZ 4.18Å; F286-F372 AromaticContact CZ-CE2 3.87Å; F286-F372 HydrophobicContact CZ-CE2 3.87Å; F286-F372 HydrophobicContact CZ-CZ 4.35Å
287Y95.2Very high92.5Very high0 Ų062.6 Ų62.60%034%0.344CS..THydrogen-bonded Turntrans-93.79.8-179.3-72.9-53.6000114.3A283 E284 E285 I289 Y290 Y297 M300 V301 L304 H357A283-Y287 PolarHBondContact O-N 2.96Å; A283-Y287 VanDerWaalsContact O-N 3.1Å; E284-Y287 PolarHBondContact O-N 2.95Å; E285-Y287 VanDerWaalsContact C-N 3.31Å; E285-Y287 PolarHBondContact O-N 3.2Å; Y287-I289 PolarHBondContact O-N 3.33Å; Y287-I289 VanDerWaalsContact O-N 3.07Å; Y287-Y290 AromaticContact CD1-CD2 3.69Å; Y287-Y290 HydrophobicContact CD1-CD2 3.69Å; Y287-Y290 AromaticContact CD1-CE2 3.84Å; Y287-Y290 HydrophobicContact CD1-CE2 3.84Å; Y287-Y290 HydrophobicContact CE1-CE2 4.46Å; Y287-Y290 HydrophobicContact CG-CD2 4.42Å; Y287-Y290 WeakPolarHBondContact O-CB 3.5Å; Y287-Y290 PolarHBondContact O-N 3.05Å; Y287-Y297 WeakPolarHBondContact O-CE2 3.29Å; Y287-M300 HydrophobicContact CD1-CE 3.57Å; Y287-M300 HydrophobicContact CD2-CB 4.21Å; Y287-M300 HydrophobicContact CE1-CE 3.52Å; Y287-M300 HydrophobicContact CE2-CB 4.11Å; Y287-M300 HydrophobicContact CG-CE 4.18Å; Y287-V301 HydrophobicContact CD2-CG2 4.21Å; Y287-L304 HydrophobicContact CD2-CD2 4.19Å; Y287-L304 HydrophobicContact CE2-CB 3.91Å; Y287-L304 HydrophobicContact CE2-CD2 3.52Å; Y287-L304 HydrophobicContact CE2-CG 4.31Å; Y287-H357 AromaticContact CE1-ND1 3.77Å
288E93.8Very high92.6Very high128 Ų12863.1 Ų63.160%0.59835%0.351SS*.G310 helixtrans-53.6-38-171.6-176.2173.6-149.300112.5E284 E285 Y290 K291E284-E288 WeakPolarHBondContact O-CA 3.41Å; E284-E288 PolarHBondContact O-N 2.93Å; E285-E288 WeakPolarHBondContact O-CB 3.38Å; E285-E288 PolarHBondContact O-N 2.89Å; E285-E288 VanDerWaalsContact O-N 3.15Å; E288-Y290 PolarHBondContact O-N 3.34Å; E288-Y290 VanDerWaalsContact O-N 3.1Å; E288-K291 WeakPolarHBondContact O-CB 3.5Å; E288-K291 PolarHBondContact O-N 3.2Å
289I91.3Very high92.7Very high91 Ų9164 Ų6447%0.46736%0.362SS..G310 helixtrans-60.7-22.1179.566.9173.1000113.9Y287 V293Y287-I289 PolarHBondContact O-N 3.33Å; Y287-I289 VanDerWaalsContact O-N 3.07Å; I289-V293 WeakPolarHBondContact O-CG2 3.31Å
290Y92.2Very high93.2Very high24 Ų2461.8 Ų61.89%0.09435%0.35CS..G310 helixtrans-89.9-9.7178.7-61.4-81.5000112.6Y287 E288 G292 V293 V294 M300 D360Y287-Y290 AromaticContact CD1-CD2 3.69Å; Y287-Y290 HydrophobicContact CD1-CD2 3.69Å; Y287-Y290 AromaticContact CD1-CE2 3.84Å; Y287-Y290 HydrophobicContact CD1-CE2 3.84Å; Y287-Y290 HydrophobicContact CE1-CE2 4.46Å; Y287-Y290 HydrophobicContact CG-CD2 4.42Å; Y287-Y290 WeakPolarHBondContact O-CB 3.5Å; Y287-Y290 PolarHBondContact O-N 3.05Å; E288-Y290 PolarHBondContact O-N 3.34Å; E288-Y290 VanDerWaalsContact O-N 3.1Å; Y290-G292 PolarHBondContact O-N 3.43Å; Y290-V293 PolarHBondContact O-N 3.14Å; Y290-V294 HydrophobicContact CD1-CG1 4.31Å; Y290-V294 HydrophobicContact CD1-CG2 4.41Å; Y290-V294 PolarHBondContact O-N 2.98Å; Y290-V294 VanDerWaalsContact O-N 3.17Å; Y290-M300 HydrophobicContact CD1-CE 4.44Å; Y290-M300 HydrophobicContact CD2-CE 4.14Å; Y290-M300 HydrophobicContact CG-CE 4.11Å; Y290-D360 PolarHBondContact OH-OD2 3.12Å; Y290-D360 VanDerWaalsContact OH-OD2 3.05Å
291K93.5Very high93.6Very high117 Ų11757.3 Ų57.351%0.50933%0.332SS..THydrogen-bonded Turntrans-65.5117.8-175.9-169.7171-170157.40110.8E284 E288 V293 Y297E284-K291 IonicContact OE1-NZ 2.67Å; E288-K291 WeakPolarHBondContact O-CB 3.5Å; E288-K291 PolarHBondContact O-N 3.2Å; K291-V293 PolarHBondContact O-N 3.2Å; K291-Y297 HydrophobicContact CB-CD1 4.31Å; K291-Y297 HydrophobicContact CB-CD2 4.21Å; K291-Y297 HydrophobicContact CB-CE1 4.04Å; K291-Y297 HydrophobicContact CB-CE2 3.92Å; K291-Y297 HydrophobicContact CB-CG 4.38Å; K291-Y297 HydrophobicContact CD-CE1 3.99Å; K291-Y297 HydrophobicContact CG-CD1 4.11Å; K291-Y297 HydrophobicContact CG-CE1 3.69Å; K291-Y297 HydrophobicContact CG-CE2 4.46Å
292G93.3Very high93.6Very high82 Ų8257 Ų5785%0.84533%0.325SS*.THydrogen-bonded Turntrans76.9-4-176.400000114.7Y290Y290-G292 PolarHBondContact O-N 3.43Å
293V92.4Very high93.6Very high112 Ų11255.9 Ų55.968%0.67932%0.318SS*.THydrogen-bonded Turntrans-92.1-44.9175.5-178.90000110.8I289 Y290 K291I289-V293 WeakPolarHBondContact O-CG2 3.31Å; Y290-V293 PolarHBondContact O-N 3.14Å; K291-V293 PolarHBondContact O-N 3.2Å
294V92Very high93.7Very high47 Ų4756 Ų5629%0.28532%0.318SS..  trans-116.2141.6179.1-54.40000110.8Y290 E296 Y297 M300Y290-V294 HydrophobicContact CD1-CG1 4.31Å; Y290-V294 HydrophobicContact CD1-CG2 4.41Å; Y290-V294 PolarHBondContact O-N 2.98Å; Y290-V294 VanDerWaalsContact O-N 3.17Å; V294-E296 PolarHBondContact O-N 2.78Å; V294-Y297 PolarHBondContact O-N 2.95Å; V294-M300 HydrophobicContact CG2-SD 3.88Å
295T94Very high93.5Very high127 Ų12753.4 Ų53.478%0.77931%0.308SS*.THydrogen-bonded Turntrans-67.3-24.5-179.642.40000112.9Y297T295-Y297 VanDerWaalsContact C-N 3.33Å
296E95.3Very high93Very high45 Ų4550.2 Ų50.221%0.2130%0.297CS..THydrogen-bonded Turntrans-83.6-6.1-174.9-65.478.3-177.900113.1V294 G299 M300 K351 V352V294-E296 PolarHBondContact O-N 2.78Å; E296-G299 CarbonylContact O-C 3.54Å; E296-G299 WeakPolarHBondContact O-CA 3.37Å; E296-G299 PolarHBondContact O-N 2.83Å; E296-M300 HydrophobicContact CB-CG 4.38Å; E296-M300 HydrophobicContact CB-SD 4.4Å; E296-M300 WeakPolarHBondContact O-CG 3.43Å; E296-M300 PolarHBondContact O-N 3.08Å; E296-K351 HydrophobicContact CG-CB 3.93Å; E296-K351 HydrophobicContact CG-CD 4.18Å; E296-K351 WeakPolarHBondContact OE1-CD 3.25Å; E296-K351 IonicContact OE1-NZ 3.47Å; E296-K351 PolarHBondContact OE1-NZ 3.48Å; E296-K351 VanDerWaalsContact OE1-NZ 3.12Å; E296-V352 HydrophobicContact CB-CG2 4.17Å; E296-V352 HydrophobicContact CG-CG2 4.37Å
297Y95.3Very high92.5Very high19 Ų1949.8 Ų49.88%0.07530%0.298CS..Hα-helixtrans-47.8-49.7-175.1166.9-96.8000113.9Y287 K291 V294 T295 G299 M300 V301Y287-Y297 WeakPolarHBondContact O-CE2 3.29Å; K291-Y297 HydrophobicContact CB-CD1 4.31Å; K291-Y297 HydrophobicContact CB-CD2 4.21Å; K291-Y297 HydrophobicContact CB-CE1 4.04Å; K291-Y297 HydrophobicContact CB-CE2 3.92Å; K291-Y297 HydrophobicContact CB-CG 4.38Å; K291-Y297 HydrophobicContact CD-CE1 3.99Å; K291-Y297 HydrophobicContact CG-CD1 4.11Å; K291-Y297 HydrophobicContact CG-CE1 3.69Å; K291-Y297 HydrophobicContact CG-CE2 4.46Å; V294-Y297 PolarHBondContact O-N 2.95Å; T295-Y297 VanDerWaalsContact C-N 3.33Å; Y297-G299 PolarHBondContact O-N 2.85Å; Y297-M300 WeakPolarHBondContact O-CB 3.31Å; Y297-M300 PolarHBondContact O-N 2.78Å; Y297-M300 VanDerWaalsContact O-N 3.12Å; Y297-V301 HydrophobicContact CD2-CG2 4.31Å; Y297-V301 HydrophobicContact CE1-CG2 4.41Å; Y297-V301 HydrophobicContact CE2-CG2 3.84Å; Y297-V301 PolarHBondContact O-N 2.85Å; Y297-V301 VanDerWaalsContact O-N 3.11Å
298P92.9Very high92.4Very high76 Ų7651.6 Ų51.649%0.49431%0.31SS..Hα-helixtrans-60.9-35.1178.4-22.334000113T302P298-T302 WeakPolarHBondContact O-CB 3.22Å; P298-T302 PolarHBondContact O-N 3.44Å; P298-T302 VanDerWaalsContact O-N 3.13Å; P298-T302 PolarHBondContact O-OG1 3.04Å
299G92.9Very high92.6Very high24 Ų2445.5 Ų45.525%0.24728%0.281CS..Hα-helixtrans-70.8-39.6175.900000112.2E296 Y297 T302 E303 V352E296-G299 CarbonylContact O-C 3.54Å; E296-G299 WeakPolarHBondContact O-CA 3.37Å; E296-G299 PolarHBondContact O-N 2.83Å; Y297-G299 PolarHBondContact O-N 2.85Å; G299-T302 PolarHBondContact O-N 3.44Å; G299-E303 VanDerWaalsContact O-CB 3.29Å; G299-E303 WeakPolarHBondContact O-CB 3.44Å; G299-E303 PolarHBondContact O-N 3.4Å; G299-V352 VanDerWaalsContact C-CG1 3.49Å; G299-V352 VanDerWaalsContact O-CG1 3.25Å; G299-V352 WeakPolarHBondContact O-CG1 3.32Å
300M95.8Very high93Very high20 Ų2041.2 Ų41.210%0.09926%0.259CS..Hα-helixtrans-60.8-45.6177.2-67.616958.200112Y287 Y290 V294 E296 Y297 E303 L304Y287-M300 HydrophobicContact CD1-CE 3.57Å; Y287-M300 HydrophobicContact CD2-CB 4.21Å; Y287-M300 HydrophobicContact CE1-CE 3.52Å; Y287-M300 HydrophobicContact CE2-CB 4.11Å; Y287-M300 HydrophobicContact CG-CE 4.18Å; Y290-M300 HydrophobicContact CD1-CE 4.44Å; Y290-M300 HydrophobicContact CD2-CE 4.14Å; Y290-M300 HydrophobicContact CG-CE 4.11Å; V294-M300 HydrophobicContact CG2-SD 3.88Å; E296-M300 HydrophobicContact CB-CG 4.38Å; E296-M300 HydrophobicContact CB-SD 4.4Å; E296-M300 WeakPolarHBondContact O-CG 3.43Å; E296-M300 PolarHBondContact O-N 3.08Å; Y297-M300 WeakPolarHBondContact O-CB 3.31Å; Y297-M300 PolarHBondContact O-N 2.78Å; Y297-M300 VanDerWaalsContact O-N 3.12Å; M300-E303 PolarHBondContact O-N 3.4Å; M300-L304 PolarHBondContact O-N 2.92Å
301V95.1Very high93.3Very high0 Ų040 Ų400%026%0.255CS..Hα-helixtrans-61.7-49.5175175.80000110Y280 A283 E284 Y287 Y297 E303 L304 C305Y280-V301 HydrophobicContact CD2-CG1 3.91Å; Y280-V301 HydrophobicContact CE1-CG1 4.26Å; Y280-V301 HydrophobicContact CE2-CG1 3.58Å; Y280-V301 HydrophobicContact CG-CG1 4.37Å; A283-V301 HydrophobicContact CB-CG1 3.9Å; E284-V301 HydrophobicContact CG-CG1 3.85Å; E284-V301 HydrophobicContact CG-CG2 4.3Å; Y287-V301 HydrophobicContact CD2-CG2 4.21Å; Y297-V301 HydrophobicContact CD2-CG2 4.31Å; Y297-V301 HydrophobicContact CE1-CG2 4.41Å; Y297-V301 HydrophobicContact CE2-CG2 3.84Å; Y297-V301 PolarHBondContact O-N 2.85Å; Y297-V301 VanDerWaalsContact O-N 3.11Å; V301-E303 VanDerWaalsContact C-N 3.32Å; V301-E303 PolarHBondContact O-N 3.38Å; V301-L304 PolarHBondContact O-N 2.83Å; V301-C305 PolarHBondContact O-N 2.98Å; V301-C305 VanDerWaalsContact O-N 3.1Å; V301-C305 PolarHBondContact O-SG 2.96Å; V301-C305 VanDerWaalsContact O-SG 3.36Å
302T88.6Confident93.5Very high54 Ų5434.5 Ų34.533%0.33123%0.23SC..Hα-helixtrans-60.1-41.8-180-57.60000112.2P298 G299 C305 S306P298-T302 WeakPolarHBondContact O-CB 3.22Å; P298-T302 PolarHBondContact O-N 3.44Å; P298-T302 VanDerWaalsContact O-N 3.13Å; P298-T302 PolarHBondContact O-OG1 3.04Å; G299-T302 PolarHBondContact O-N 3.44Å; T302-C305 CarbonylContact O-C 3.52Å; T302-C305 PolarHBondContact O-N 2.87Å; T302-S306 PolarHBondContact O-N 2.96Å
303E94.2Very high93.8Very high17 Ų1730.6 Ų30.68%0.07919%0.19CC..Hα-helixtrans-65.6-45.1178.2170.158.5-166.400111.8K247 P248 H249 G299 M300 V301 C305 S306 V352 R353K247-E303 HydrophobicContact CD-CG 4.35Å; P248-E303 VanDerWaalsContact CG-O 3.25Å; P248-E303 WeakPolarHBondContact CG-O 3.39Å; H249-E303 WeakPolarHBondContact CB-OE1 3.32Å; H249-E303 IonicContact CE1-OE1 2.83Å; H249-E303 IonicContact CG-OE1 3.86Å; H249-E303 PolarHBondContact N-OE1 2.66Å; H249-E303 IonicContact ND1-OE1 3.72Å; H249-E303 PolarHBondContact ND1-OE1 3.37Å; G299-E303 VanDerWaalsContact O-CB 3.29Å; G299-E303 WeakPolarHBondContact O-CB 3.44Å; G299-E303 PolarHBondContact O-N 3.4Å; M300-E303 PolarHBondContact O-N 3.4Å; V301-E303 VanDerWaalsContact C-N 3.32Å; V301-E303 PolarHBondContact O-N 3.38Å; E303-C305 PolarHBondContact O-N 2.92Å; E303-S306 WeakPolarHBondContact O-CB 3.47Å; E303-S306 PolarHBondContact O-N 3.29Å; E303-S306 PolarHBondContact O-OG 3.21Å; E303-V352 HydrophobicContact CB-CG1 3.6Å; E303-V352 HydrophobicContact CG-CG1 4.2Å; E303-R353 HydrophobicContact CG-CG 4.43Å
304L94.9Very high94Very high1 Ų125.2 Ų25.21%0.00516%0.158CC..Hα-helixtrans-64.4-29.1178.7-173.662.1000112.1I245 I278 A283 F286 Y287 M300 V301 C309I245-L304 HydrophobicContact CG2-CD1 4.09Å; I278-L304 HydrophobicContact CB-CG 4.28Å; I278-L304 HydrophobicContact CG1-CD1 4.5Å; I278-L304 HydrophobicContact CG1-CG 4.33Å; I278-L304 HydrophobicContact CG2-CD2 4.33Å; I278-L304 HydrophobicContact CG2-CG 4.42Å; A283-L304 HydrophobicContact CB-CB 4.45Å; A283-L304 HydrophobicContact CB-CD2 4.08Å; A283-L304 HydrophobicContact CB-CG 4.46Å; F286-L304 HydrophobicContact CD1-CD2 4.04Å; Y287-L304 HydrophobicContact CD2-CD2 4.19Å; Y287-L304 HydrophobicContact CE2-CB 3.91Å; Y287-L304 HydrophobicContact CE2-CD2 3.52Å; Y287-L304 HydrophobicContact CE2-CG 4.31Å; M300-L304 PolarHBondContact O-N 2.92Å; V301-L304 PolarHBondContact O-N 2.83Å; L304-C309 HydrophobicContact CD1-CB 4.03Å
305C89.8Confident94.2Very high11 Ų1124.7 Ų24.77%0.07415%0.152CC..THydrogen-bonded Turntrans-87.1-0.1172.7-61.90000114.1T69 Q74 D279 Y280 A283 V301 T302 E303 G307T69-C305 PolarHBondContact OG1-O 3.16Å; Q74-C305 WeakPolarHBondContact CG-O 3.43Å; Q74-C305 PolarHBondContact NE2-O 3.41Å; D279-C305 VanDerWaalsContact C-SG 3.51Å; D279-C305 PolarHBondContact O-SG 3.44Å; D279-C305 VanDerWaalsContact O-SG 3.37Å; Y280-C305 VanDerWaalsContact CA-SG 3.54Å; A283-C305 WeakPolarHBondContact CB-SG 3.39Å; V301-C305 PolarHBondContact O-N 2.98Å; V301-C305 VanDerWaalsContact O-N 3.1Å; V301-C305 PolarHBondContact O-SG 2.96Å; V301-C305 VanDerWaalsContact O-SG 3.36Å; T302-C305 CarbonylContact O-C 3.52Å; T302-C305 PolarHBondContact O-N 2.87Å; E303-C305 PolarHBondContact O-N 2.92Å; C305-G307 VanDerWaalsContact C-N 3.28Å; C305-G307 PolarHBondContact O-N 3.02Å
306S84.5Confident94.3Very high41 Ų4120.5 Ų20.529%0.28713%0.134SC..SBendtrans-75.3-20.9-174.268.40000113T69 P248 T302 E303T69-S306 WeakPolarHBondContact CB-O 3.3Å; T69-S306 VanDerWaalsContact OG1-C 3.31Å; T69-S306 PolarHBondContact OG1-O 3.02Å; P248-S306 VanDerWaalsContact CB-OG 3.3Å; P248-S306 WeakPolarHBondContact CB-OG 3.19Å; T302-S306 PolarHBondContact O-N 2.96Å; E303-S306 WeakPolarHBondContact O-CB 3.47Å; E303-S306 PolarHBondContact O-N 3.29Å; E303-S306 PolarHBondContact O-OG 3.21Å
307G86.3Confident94.2Very high10 Ų1022.3 Ų22.310%0.10316%0.157CC..SBendtrans-176.1-162.8-179.400000112.2P248 C305P248-G307 WeakPolarHBondContact CG-O 3.48Å; C305-G307 VanDerWaalsContact C-N 3.28Å; C305-G307 PolarHBondContact O-N 3.02Å
308P93.2Very high94Very high38 Ų3826.4 Ų26.425%0.24718%0.18CC..EExtended strand (participates in β ladder)trans-67.9146.1177.229.4-34.9000110.9P248 I251 L275 F276P248-P308 VanDerWaalsContact CA-O 3.27Å; P248-P308 WeakPolarHBondContact CA-O 3.49Å; P248-P308 WeakPolarHBondContact CB-O 3.24Å; P248-P308 WeakPolarHBondContact CG-O 3.44Å; I251-P308 WeakPolarHBondContact CD1-O 3.44Å; I251-P308 HydrophobicContact CG2-CG 4.38Å; L275-P308 HydrophobicContact CD1-CB 4.24Å; L275-P308 HydrophobicContact CD2-CB 3.75Å; L275-P308 HydrophobicContact CG-CB 4.07Å; F276-P308 CarbonylContact O-C 3.54Å; F276-P308 VanDerWaalsContact O-CA 3.32Å; F276-P308 WeakPolarHBondContact O-CA 3.28Å
309C97.8Very high94.1Very high0 Ų024.5 Ų24.50%017%0.165CC..EExtended strand (participates in β ladder)trans-122.6156.3167.969.40000109.8I245 I246 P248 L275 F276 L304I245-C309 HydrophobicContact CG2-CB 3.67Å; I246-C309 WeakPolarHBondContact O-CA 3.42Å; I246-C309 WeakPolarHBondContact O-CB 3.29Å; P248-C309 HydrophobicContact CG-CB 4.25Å; L275-C309 CarbonylContact C-O 3.58Å; L275-C309 WeakPolarHBondContact CA-O 3.43Å; F276-C309 PolarHBondContact N-O 3.15Å; F276-C309 PolarHBondContact O-N 3.39Å; L304-C309 HydrophobicContact CD1-CB 4.03Å
310I98.6Very high94.2Very high0 Ų023.7 Ų23.70%016%0.156CC..EExtended strand (participates in β ladder)trans-111.9118.8173.5-73163.7000107.6F112 I245 I246 I251 T256 L273 Q274 L275 L312F112-I310 HydrophobicContact CE1-CD1 3.93Å; F112-I310 HydrophobicContact CZ-CD1 4.18Å; I245-I310 CarbonylContact C-O 3.51Å; I245-I310 WeakPolarHBondContact CA-O 3.47Å; I246-I310 HydrophobicContact CB-CB 4.23Å; I246-I310 HydrophobicContact CD1-CB 4.45Å; I246-I310 HydrophobicContact CD1-CG2 4.36Å; I246-I310 PolarHBondContact N-O 2.81Å; I246-I310 PolarHBondContact O-N 2.84Å; I246-I310 VanDerWaalsContact O-N 3.11Å; I251-I310 HydrophobicContact CD1-CB 4.07Å; I251-I310 HydrophobicContact CD1-CD1 3.74Å; I251-I310 HydrophobicContact CD1-CG1 3.61Å; T256-I310 HydrophobicContact CG2-CD1 3.46Å; T256-I310 VanDerWaalsContact CG2-CD1 3.46Å; L273-I310 HydrophobicContact CD1-CG2 4.2Å; L273-I310 HydrophobicContact CD2-CG2 4.26Å; L273-I310 HydrophobicContact CG-CG2 3.82Å; Q274-I310 WeakPolarHBondContact O-CA 3.49Å; L275-I310 HydrophobicContact CB-CG1 4.09Å; L275-I310 HydrophobicContact CD1-CG1 4.3Å; L275-I310 HydrophobicContact CG-CG1 4.23Å; I310-L312 HydrophobicContact CG2-CD2 3.65Å; I310-L312 HydrophobicContact CG2-CG 4.28Å
311V98.6Very high94.2Very high0 Ų027.5 Ų27.50%017%0.172CC..EExtended strand (participates in β ladder)trans-97.3134.4177.4-175.20000108.5C244 I245 L273 Q274 F276 F372 F373C244-V311 CarbonylContact O-C 3.54Å; C244-V311 WeakPolarHBondContact O-CA 3.36Å; I245-V311 HydrophobicContact CG1-CG2 4.24Å; I245-V311 HydrophobicContact CG2-CG2 4.22Å; L273-V311 WeakPolarHBondContact CA-O 3.42Å; Q274-V311 PolarHBondContact N-O 3.4Å; Q274-V311 PolarHBondContact O-N 3.07Å; F276-V311 HydrophobicContact CD2-CB 3.91Å; F276-V311 HydrophobicContact CD2-CG2 3.53Å; F276-V311 HydrophobicContact CE2-CB 3.83Å; F276-V311 HydrophobicContact CE2-CG2 3.91Å; F276-V311 HydrophobicContact CG-CG2 4.45Å; V311-F372 HydrophobicContact CB-CB 4.44Å; V311-F372 HydrophobicContact CB-CG 4.26Å; V311-F372 HydrophobicContact CG1-CB 3.89Å; V311-F372 HydrophobicContact CG1-CD1 4.47Å; V311-F372 HydrophobicContact CG1-CD2 3.7Å; V311-F372 HydrophobicContact CG1-CE2 4.36Å; V311-F372 HydrophobicContact CG1-CG 3.77Å; V311-F372 HydrophobicContact CG2-CB 4.43Å; V311-F372 HydrophobicContact CG2-CD1 3.66Å; V311-F372 HydrophobicContact CG2-CD2 4.13Å; V311-F372 HydrophobicContact CG2-CE1 3.87Å; V311-F372 HydrophobicContact CG2-CE2 4.31Å; V311-F372 HydrophobicContact CG2-CG 3.81Å; V311-F372 HydrophobicContact CG2-CZ 4.2Å; V311-F373 HydrophobicContact CB-CZ 4.45Å; V311-F373 HydrophobicContact CG1-CE2 3.83Å; V311-F373 HydrophobicContact CG1-CZ 4.24Å
312L98.6Very high94.3Very high0 Ų028.6 Ų28.60%018%0.179CC..EExtended strand (participates in β ladder)trans-123134.7-179-49.6175000109.4C244 I246 L260 I263 I270 A272 L273 I310 I314C244-L312 HydrophobicContact CB-CB 4.19Å; C244-L312 HydrophobicContact CB-CD1 4.48Å; C244-L312 PolarHBondContact N-O 3.38Å; C244-L312 PolarHBondContact O-N 3.4Å; I246-L312 HydrophobicContact CD1-CD1 4.17Å; I246-L312 HydrophobicContact CG1-CD1 4.34Å; L260-L312 HydrophobicContact CD2-CD1 3.79Å; L260-L312 HydrophobicContact CD2-CD2 4.07Å; I263-L312 HydrophobicContact CD1-CD1 3.74Å; I270-L312 HydrophobicContact CG2-CD2 4.19Å; A272-L312 WeakPolarHBondContact O-CA 3.47Å; L273-L312 HydrophobicContact CB-CD2 3.73Å; L273-L312 HydrophobicContact CD1-CD2 3.58Å; L273-L312 HydrophobicContact CG-CD2 3.52Å; I310-L312 HydrophobicContact CG2-CD2 3.65Å; I310-L312 HydrophobicContact CG2-CG 4.28Å; L312-I314 HydrophobicContact CB-CD1 3.71Å; L312-I314 HydrophobicContact CB-CG1 4.18Å; L312-I314 HydrophobicContact CD1-CD1 4.11Å
313E98.3Very high94.7Very high0 Ų026 Ų260%016%0.164CC..EExtended strand (participates in β ladder)trans-88.7120.3159.5-177.5-178.2-161.700108.5A236 V237 C238 S241 A271 A272 V369 F373A236-E313 WeakPolarHBondContact CA-OE2 3.33Å; A236-E313 WeakPolarHBondContact CB-OE2 3.39Å; V237-E313 PolarHBondContact N-OE2 3.05Å; C238-E313 VanDerWaalsContact CA-OE1 3.31Å; C238-E313 WeakPolarHBondContact CA-OE1 3.36Å; C238-E313 PolarHBondContact N-OE1 3.43Å; S241-E313 VanDerWaalsContact CB-CG 3.45Å; S241-E313 VanDerWaalsContact CB-OE1 3.24Å; S241-E313 WeakPolarHBondContact CB-OE1 3.38Å; S241-E313 WeakPolarHBondContact OG-CG 2.91Å; S241-E313 PolarHBondContact OG-OE1 2.94Å; A271-E313 HydrophobicContact CB-CB 4.28Å; A271-E313 HydrophobicContact CB-CG 4.05Å; A271-E313 PolarHBondContact N-O 3.26Å; A272-E313 HydrophobicContact CB-CB 3.91Å; A272-E313 PolarHBondContact O-N 3.03Å; E313-V369 HydrophobicContact CB-CG1 4.01Å; E313-V369 HydrophobicContact CG-CG1 3.82Å; E313-V369 HydrophobicContact CG-CG2 4.21Å; E313-F373 HydrophobicContact CB-CE2 4.25Å
314I98.2Very high94.8Very high0 Ų029.2 Ų29.20%018%0.175CC..EExtended strand (participates in β ladder)trans-109.7128.4-177.4-54.9-60.9000110.5S241 T242 C244 I263 F268 K269 I270 L312 I319 F323S241-I314 CarbonylContact C-O 3.51Å; S241-I314 WeakPolarHBondContact CA-O 3.37Å; S241-I314 VanDerWaalsContact CB-O 3.28Å; S241-I314 WeakPolarHBondContact CB-O 3.23Å; T242-I314 HydrophobicContact CG2-CB 3.9Å; T242-I314 HydrophobicContact CG2-CG2 4.41Å; T242-I314 PolarHBondContact N-O 3.3Å; T242-I314 PolarHBondContact O-N 3.33Å; C244-I314 HydrophobicContact CB-CG1 3.9Å; I263-I314 HydrophobicContact CD1-CD1 4.47Å; I263-I314 HydrophobicContact CG2-CD1 4.04Å; F268-I314 HydrophobicContact CB-CG2 3.75Å; F268-I314 HydrophobicContact CD1-CG2 3.8Å; F268-I314 HydrophobicContact CG-CG2 4Å; K269-I314 WeakPolarHBondContact O-CA 3.49Å; I270-I314 HydrophobicContact CG1-CD1 3.9Å; L312-I314 HydrophobicContact CB-CD1 3.71Å; L312-I314 HydrophobicContact CB-CG1 4.18Å; L312-I314 HydrophobicContact CD1-CD1 4.11Å; I314-I319 HydrophobicContact CG2-CD1 4.26Å; I314-I319 WeakPolarHBondContact O-CD1 3.32Å; I314-F323 HydrophobicContact CB-CD2 4.41Å; I314-F323 HydrophobicContact CB-CE2 4.33Å; I314-F323 HydrophobicContact CD1-CE2 4.44Å; I314-F323 HydrophobicContact CD1-CZ 4.48Å; I314-F323 HydrophobicContact CG1-CE1 4.28Å; I314-F323 HydrophobicContact CG1-CE2 3.95Å; I314-F323 HydrophobicContact CG1-CZ 3.84Å; I314-F323 HydrophobicContact CG2-CD2 3.65Å; I314-F323 HydrophobicContact CG2-CE2 3.78Å; I314-F323 HydrophobicContact CG2-CG 4.23Å; I314-F323 HydrophobicContact CG2-CZ 4.46Å
315Q96.5Very high95Very high35 Ų3533.5 Ų33.516%0.16420%0.195CC..EExtended strand (participates in β ladder)trans-114.9150.9173.6-71.1-177-33.300111.1E239 K269 A271E239-Q315 PolarHBondContact O-NE2 3.5Å; K269-Q315 HydrophobicContact CB-CB 4.28Å; K269-Q315 PolarHBondContact N-O 3.37Å; K269-Q315 PolarHBondContact O-N 3.46Å; A271-Q315 HydrophobicContact CB-CG 3.99Å
316G94.4Very high95.4Very high39 Ų3934.5 Ų34.540%0.40220%0.2SC..  trans165.9176.9-17200000112.3
317A92.9Very high96Very high84 Ų8432.6 Ų32.669%0.69419%0.186SC*.THydrogen-bonded Turntrans-77.8142.7179.100000111.6I319 S322A317-I319 VanDerWaalsContact C-N 3.32Å; A317-I319 PolarHBondContact O-N 3.08Å; A317-S322 VanDerWaalsContact O-CB 3.3Å; A317-S322 WeakPolarHBondContact O-CB 3.36Å; A317-S322 PolarHBondContact O-OG 3.5Å
318D92.9Very high96.5Very high104 Ų10432.6 Ų32.656%0.55619%0.186SC*.THydrogen-bonded Turntrans56.239.5175.7-163.433.3000114.1K321 S322D318-K321 WeakPolarHBondContact O-CB 3.28Å; D318-K321 PolarHBondContact O-N 2.89Å; D318-K321 VanDerWaalsContact O-N 3.08Å; D318-K321 IonicContact OD2-NZ 3.27Å; D318-S322 PolarHBondContact O-N 3.43Å; D318-S322 PolarHBondContact O-OG 2.97Å
319I93.6Very high96.7Very high36 Ų3632.6 Ų32.619%0.18519%0.186CC..THydrogen-bonded Turntrans-79.4143.7176.8-74.4-171.5000110.5T242 F268 I314 A317T242-I319 HydrophobicContact CG2-CD1 4.27Å; T242-I319 HydrophobicContact CG2-CG2 3.65Å; F268-I319 HydrophobicContact CD1-CD1 4.2Å; F268-I319 HydrophobicContact CE1-CD1 4.26Å; F268-I319 HydrophobicContact CE1-CG1 4.25Å; I314-I319 HydrophobicContact CG2-CD1 4.26Å; I314-I319 WeakPolarHBondContact O-CD1 3.32Å; A317-I319 VanDerWaalsContact C-N 3.32Å; A317-I319 PolarHBondContact O-N 3.08Å
320P95.2Very high96.5Very high7 Ų736.3 Ų36.35%0.04521%0.212CC..THydrogen-bonded Turncis-84.2-5.63.535.3-39.5000114.7S322 F323 R324 P362 S365P320-S322 PolarHBondContact O-N 3.23Å; P320-F323 PolarHBondContact O-N 3.45Å; P320-R324 WeakPolarHBondContact O-CG 3.45Å; P320-R324 PolarHBondContact O-N 3.37Å; P320-P362 HydrophobicContact CG-CB 4.39Å; P320-P362 HydrophobicContact CG-CG 4.22Å; P320-S365 WeakPolarHBondContact CB-OG 3.27Å; P320-S365 VanDerWaalsContact CG-OG 3.3Å; P320-S365 WeakPolarHBondContact CG-OG 3.28Å
321K95.8Very high96.5Very high100 Ų10037.3 Ų37.344%0.43522%0.217SC..Hα-helixtrans-59.9-51.2-170.3-177.6-175.3162.7-150.10113.1D318 F323 R324 E325D318-K321 WeakPolarHBondContact O-CB 3.28Å; D318-K321 PolarHBondContact O-N 2.89Å; D318-K321 VanDerWaalsContact O-N 3.08Å; D318-K321 IonicContact OD2-NZ 3.27Å; K321-F323 VanDerWaalsContact C-N 3.26Å; K321-F323 PolarHBondContact O-N 3.32Å; K321-R324 WeakPolarHBondContact O-CB 3.45Å; K321-R324 PolarHBondContact O-N 3.24Å; K321-E325 WeakPolarHBondContact CE-OE1 3.3Å; K321-E325 WeakPolarHBondContact O-CG 3.42Å; K321-E325 PolarHBondContact O-N 2.85Å
322S96.6Very high96.4Very high23 Ų2337.3 Ų37.316%0.16122%0.217CC..Hα-helixtrans-61.1-35.7-179.863.20000112.4F268 A317 D318 P320 E325 L326F268-S322 WeakPolarHBondContact CE1-OG 3.41Å; A317-S322 VanDerWaalsContact O-CB 3.3Å; A317-S322 WeakPolarHBondContact O-CB 3.36Å; A317-S322 PolarHBondContact O-OG 3.5Å; D318-S322 PolarHBondContact O-N 3.43Å; D318-S322 PolarHBondContact O-OG 2.97Å; P320-S322 PolarHBondContact O-N 3.23Å; S322-E325 WeakPolarHBondContact O-CB 3.46Å; S322-E325 PolarHBondContact O-N 2.82Å; S322-L326 PolarHBondContact O-N 3.27Å
323F97.9Very high96.3Very high0 Ų043.3 Ų43.30%025%0.246CC..Hα-helixtrans-72.3-39.4177.5-168.3-104.2000111.9T242 C244 I263 F268 I314 P320 K321 E325 L326 C327 C358T242-F323 HydrophobicContact CG2-CB 3.86Å; T242-F323 HydrophobicContact CG2-CD1 3.72Å; T242-F323 HydrophobicContact CG2-CG 3.87Å; C244-F323 HydrophobicContact CB-CE1 3.53Å; C244-F323 HydrophobicContact CB-CZ 3.68Å; I263-F323 HydrophobicContact CD1-CE2 4.4Å; I263-F323 HydrophobicContact CD1-CZ 4.22Å; I263-F323 HydrophobicContact CG1-CE2 4.15Å; I263-F323 HydrophobicContact CG1-CZ 4.38Å; I263-F323 HydrophobicContact CG2-CE2 4.35Å; F268-F323 AromaticContact CD1-CD2 3.97Å; F268-F323 HydrophobicContact CD1-CD2 3.97Å; F268-F323 AromaticContact CD2-CD2 3.96Å; F268-F323 HydrophobicContact CD2-CD2 3.96Å; F268-F323 HydrophobicContact CD2-CE2 4.41Å; F268-F323 HydrophobicContact CE1-CB 4.02Å; F268-F323 HydrophobicContact CE1-CD2 4.04Å; F268-F323 HydrophobicContact CE2-CD2 4.03Å; F268-F323 AromaticContact CG-CD2 3.93Å; F268-F323 HydrophobicContact CG-CD2 3.93Å; F268-F323 HydrophobicContact CG-CE2 4.43Å; F268-F323 HydrophobicContact CZ-CB 4.14Å; F268-F323 HydrophobicContact CZ-CD2 4.07Å; I314-F323 HydrophobicContact CB-CD2 4.41Å; I314-F323 HydrophobicContact CB-CE2 4.33Å; I314-F323 HydrophobicContact CD1-CE2 4.44Å; I314-F323 HydrophobicContact CD1-CZ 4.48Å; I314-F323 HydrophobicContact CG1-CE1 4.28Å; I314-F323 HydrophobicContact CG1-CE2 3.95Å; I314-F323 HydrophobicContact CG1-CZ 3.84Å; I314-F323 HydrophobicContact CG2-CD2 3.65Å; I314-F323 HydrophobicContact CG2-CE2 3.78Å; I314-F323 HydrophobicContact CG2-CG 4.23Å; I314-F323 HydrophobicContact CG2-CZ 4.46Å; P320-F323 PolarHBondContact O-N 3.45Å; K321-F323 VanDerWaalsContact C-N 3.26Å; K321-F323 PolarHBondContact O-N 3.32Å; F323-E325 PolarHBondContact O-N 2.7Å; F323-L326 HydrophobicContact CD2-CD2 4.18Å; F323-L326 HydrophobicContact CE2-CD2 3.96Å; F323-L326 WeakPolarHBondContact O-CB 3.38Å; F323-L326 PolarHBondContact O-N 3.48Å; F323-L326 VanDerWaalsContact O-N 3.08Å; F323-C327 VanDerWaalsContact CE1-SG 3.51Å; F323-C327 PolarHBondContact O-N 2.97Å; F323-C327 PolarHBondContact O-SG 3.16Å; F323-C358 HydrophobicContact CD1-CB 4.03Å; F323-C358 HydrophobicContact CE1-CB 3.98Å
324R97.2Very high96.3Very high85 Ų8547.1 Ų47.132%0.32127%0.265SS..Hα-helixtrans-59-36.6170.9-72.3-173.3-63.7168-6.7112.3P320 K321 L326 C327 G328 T359 D360P320-R324 WeakPolarHBondContact O-CG 3.45Å; P320-R324 PolarHBondContact O-N 3.37Å; K321-R324 WeakPolarHBondContact O-CB 3.45Å; K321-R324 PolarHBondContact O-N 3.24Å; R324-L326 VanDerWaalsContact C-N 3.32Å; R324-L326 PolarHBondContact O-N 2.82Å; R324-C327 PolarHBondContact O-N 3.22Å; R324-G328 PolarHBondContact O-N 3.34Å; R324-T359 VanDerWaalsContact CD-O 3.28Å; R324-T359 WeakPolarHBondContact CD-O 3.44Å; R324-T359 WeakPolarHBondContact CG-O 3.38Å; R324-D360 PolarHBondContact NH1-O 2.92Å
325E97.2Very high96.2Very high91 Ų9147.1 Ų47.143%0.42527%0.265SS..Hα-helixtrans-64-37.6175.1-70.8173.9-177.100112.2K321 S322 F323K321-E325 WeakPolarHBondContact CE-OE1 3.3Å; K321-E325 WeakPolarHBondContact O-CG 3.42Å; K321-E325 PolarHBondContact O-N 2.85Å; S322-E325 WeakPolarHBondContact O-CB 3.46Å; S322-E325 PolarHBondContact O-N 2.82Å; F323-E325 PolarHBondContact O-N 2.7Å
326L98.1Very high96.3Very high32 Ų3251.1 Ų51.117%0.16828%0.278CS..Hα-helixtrans-66.7-40.7172.2177.267.2000112I263 A266 F268 S322 F323 R324 T342 L343I263-L326 HydrophobicContact CG1-CD2 4.35Å; A266-L326 HydrophobicContact CB-CD1 3.71Å; A266-L326 HydrophobicContact CB-CD2 3.65Å; A266-L326 HydrophobicContact CB-CG 4.27Å; F268-L326 HydrophobicContact CD2-CD2 3.68Å; F268-L326 HydrophobicContact CE2-CB 4.13Å; F268-L326 HydrophobicContact CE2-CD2 3.69Å; F268-L326 HydrophobicContact CE2-CG 4.48Å; S322-L326 PolarHBondContact O-N 3.27Å; F323-L326 HydrophobicContact CD2-CD2 4.18Å; F323-L326 HydrophobicContact CE2-CD2 3.96Å; F323-L326 WeakPolarHBondContact O-CB 3.38Å; F323-L326 PolarHBondContact O-N 3.48Å; F323-L326 VanDerWaalsContact O-N 3.08Å; R324-L326 VanDerWaalsContact C-N 3.32Å; R324-L326 PolarHBondContact O-N 2.82Å; L326-T342 CarbonylContact O-C 3.53Å; L326-T342 VanDerWaalsContact O-CA 3.24Å; L326-T342 WeakPolarHBondContact O-CA 3.42Å; L326-T342 WeakPolarHBondContact O-CB 3.39Å; L326-L343 HydrophobicContact CD2-CD1 4.29Å; L326-L343 HydrophobicContact CG-CD1 4.23Å; L326-L343 HydrophobicContact CG-CG 4.13Å; L326-L343 PolarHBondContact O-N 3.36Å
327C98.3Very high96.4Very high0 Ų056.1 Ų56.10%030%0.295CS..Hα-helixtrans-65.4-40.5175.9-67.80000111.7F323 R324 T342 R344 V356 C358F323-C327 VanDerWaalsContact CE1-SG 3.51Å; F323-C327 PolarHBondContact O-N 2.97Å; F323-C327 PolarHBondContact O-SG 3.16Å; R324-C327 PolarHBondContact O-N 3.22Å; C327-T342 VanDerWaalsContact O-CB 3.31Å; C327-T342 WeakPolarHBondContact O-CB 3.33Å; C327-T342 PolarHBondContact O-OG1 2.89Å; C327-R344 VanDerWaalsContact O-CB 3.29Å; C327-R344 WeakPolarHBondContact O-CB 3.36Å; C327-R344 WeakPolarHBondContact O-CG 3.43Å; C327-R344 PolarHBondContact O-N 3.44Å; C327-V356 HydrophobicContact CB-CG2 4.31Å; C327-C358 HydrophobicContact CB-CB 4.32Å; C327-C358 VanDerWaalsContact SG-CB 3.54Å
328G97.7Very high96.6Very high10 Ų1057.7 Ų57.710%0.10329%0.292CS..  trans79.4-173.9-179.400000114.1R324 R344R324-G328 PolarHBondContact O-N 3.34Å; G328-R344 PolarHBondContact O-NH1 3.34Å
329P96.8Very high96.7Very high38 Ų3858.8 Ų58.825%0.24729%0.288CS..  trans-51.8142.8179.9-26.334.6000112.6D331 I334 A335 R344P329-D331 PolarHBondContact O-N 3.19Å; P329-I334 HydrophobicContact CB-CB 4.3Å; P329-I334 HydrophobicContact CB-CG2 4Å; P329-I334 HydrophobicContact CG-CG2 4.17Å; P329-A335 HydrophobicContact CB-CB 4.2Å; P329-A335 HydrophobicContact CG-CB 4.21Å; P329-R344 WeakPolarHBondContact O-CD 3.38Å
330S93.9Very high96.9Very high78 Ų7860.4 Ų60.455%0.54530%0.3SS..SBendtrans-61.5-29.7-178.753.40000113.3P332 N354S330-P332 WeakPolarHBondContact O-CD 3.45Å; S330-N354 WeakPolarHBondContact O-CB 3.33Å; S330-N354 PolarHBondContact O-ND2 2.73Å
331D96.9Very high96.9Very high21 Ų2166.4 Ų66.411%0.11233%0.332CS..SBendtrans-86.9115.1173.1-172.6-32.2000110.7P329 E333 I334 A335 K351P329-D331 PolarHBondContact O-N 3.19Å; D331-E333 VanDerWaalsContact C-N 3.28Å; D331-E333 PolarHBondContact O-N 3.28Å; D331-E333 WeakPolarHBondContact OD1-CB 3.32Å; D331-E333 PolarHBondContact OD1-N 2.8Å; D331-I334 HydrophobicContact CB-CB 4.1Å; D331-I334 HydrophobicContact CB-CD1 3.92Å; D331-I334 HydrophobicContact CB-CG1 3.95Å; D331-I334 PolarHBondContact O-N 3.35Å; D331-A335 WeakPolarHBondContact O-CB 3.31Å; D331-A335 PolarHBondContact O-N 3.18Å; D331-K351 HydrophobicContact CB-CG 4.1Å; D331-K351 WeakPolarHBondContact OD2-CE 3.06Å
332P97.7Very high97.1Very high0 Ų062.1 Ų62.10%032%0.315CS..Hα-helixtrans-59-29.9178.3-29.339.5000115.2S330 A335 R336 R344 D350 N354S330-P332 WeakPolarHBondContact O-CD 3.45Å; P332-A335 PolarHBondContact O-N 2.77Å; P332-R336 WeakPolarHBondContact O-CB 3.26Å; P332-R336 VanDerWaalsContact O-CG 3.3Å; P332-R336 WeakPolarHBondContact O-CG 3.38Å; P332-R336 PolarHBondContact O-N 3.08Å; P332-R336 PolarHBondContact O-NE 3.41Å; P332-R344 WeakPolarHBondContact CB-O 3.28Å; P332-D350 WeakPolarHBondContact CD-O 3.3Å; P332-D350 VanDerWaalsContact CG-O 3.29Å; P332-D350 WeakPolarHBondContact CG-O 3.45Å; P332-N354 HydrophobicContact CG-CB 3.7Å
333E97Very high97.2Very high127 Ų12761.1 Ų61.159%0.59331%0.307SS*.Hα-helixtrans-68-45.4176.6-73.3-176177.700110.9D331 A335 R336 L337D331-E333 VanDerWaalsContact C-N 3.28Å; D331-E333 PolarHBondContact O-N 3.28Å; D331-E333 WeakPolarHBondContact OD1-CB 3.32Å; D331-E333 PolarHBondContact OD1-N 2.8Å; E333-A335 VanDerWaalsContact C-N 3.33Å; E333-R336 PolarHBondContact O-N 3.07Å; E333-L337 PolarHBondContact O-N 3.07Å; E333-L337 VanDerWaalsContact O-N 3.07Å
334I96.9Very high97.2Very high80 Ų8061.8 Ų61.841%0.4131%0.31SS..Hα-helixtrans-64.8-41.6175-60.3-178.7000110.1P329 D331 L337 L338P329-I334 HydrophobicContact CB-CB 4.3Å; P329-I334 HydrophobicContact CB-CG2 4Å; P329-I334 HydrophobicContact CG-CG2 4.17Å; D331-I334 HydrophobicContact CB-CB 4.1Å; D331-I334 HydrophobicContact CB-CD1 3.92Å; D331-I334 HydrophobicContact CB-CG1 3.95Å; D331-I334 PolarHBondContact O-N 3.35Å; I334-L337 PolarHBondContact O-N 2.67Å; I334-L338 HydrophobicContact CG2-CD1 3.57Å; I334-L338 HydrophobicContact CG2-CG 4.13Å; I334-L338 WeakPolarHBondContact O-CB 3.39Å; I334-L338 PolarHBondContact O-N 2.98Å
335A97.1Very high97.2Very high0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-59.6-4817600000111.3P329 D331 P332 E333 L337 L338 R339 R344P329-A335 HydrophobicContact CB-CB 4.2Å; P329-A335 HydrophobicContact CG-CB 4.21Å; D331-A335 WeakPolarHBondContact O-CB 3.31Å; D331-A335 PolarHBondContact O-N 3.18Å; P332-A335 PolarHBondContact O-N 2.77Å; E333-A335 VanDerWaalsContact C-N 3.33Å; A335-L337 VanDerWaalsContact C-N 3.28Å; A335-L337 PolarHBondContact O-N 2.89Å; A335-L338 PolarHBondContact O-N 2.82Å; A335-R339 CarbonylContact O-C 3.49Å; A335-R339 VanDerWaalsContact O-CA 3.29Å; A335-R339 WeakPolarHBondContact O-CA 3.37Å; A335-R339 PolarHBondContact O-N 3.47Å; A335-R344 HydrophobicContact CB-CB 4.37Å
336R97.9Very high97.3Very high118 Ų11857.7 Ų57.745%0.44530%0.298SS..Hα-helixtrans-58.9-37.9176.3-79.2-178.4-78.4131.5-10.4113P332 E333 P340 G345P332-R336 WeakPolarHBondContact O-CB 3.26Å; P332-R336 VanDerWaalsContact O-CG 3.3Å; P332-R336 WeakPolarHBondContact O-CG 3.38Å; P332-R336 PolarHBondContact O-N 3.08Å; P332-R336 PolarHBondContact O-NE 3.41Å; E333-R336 PolarHBondContact O-N 3.07Å; R336-P340 WeakPolarHBondContact O-CB 3.42Å; R336-G345 WeakPolarHBondContact CG-O 3.27Å
337L96.8Very high97.3Very high144 Ų14457.9 Ų57.975%0.75430%0.297SS*.Hα-helixtrans-75.4-45.9-179.3-176.364.1000112.8E333 I334 A335E333-L337 PolarHBondContact O-N 3.07Å; E333-L337 VanDerWaalsContact O-N 3.07Å; I334-L337 PolarHBondContact O-N 2.67Å; A335-L337 VanDerWaalsContact C-N 3.28Å; A335-L337 PolarHBondContact O-N 2.89Å
338L96.4Very high97.3Very high118 Ų11858.4 Ų58.462%0.61830%0.303SS*.Hα-helixtrans-95.8-32.8-170.1-60.4-177.1000113.4I334 A335I334-L338 HydrophobicContact CG2-CD1 3.57Å; I334-L338 HydrophobicContact CG2-CG 4.13Å; I334-L338 WeakPolarHBondContact O-CB 3.39Å; I334-L338 PolarHBondContact O-N 2.98Å; A335-L338 PolarHBondContact O-N 2.82Å
339R96.2Very high97.2Very high127 Ų12762.4 Ų62.448%0.47932%0.317SS..  trans-146.467.5-174-58.6-168.7178.6-158.4-0.2110.7A335 N341 T342A335-R339 CarbonylContact O-C 3.49Å; A335-R339 VanDerWaalsContact O-CA 3.29Å; A335-R339 WeakPolarHBondContact O-CA 3.37Å; A335-R339 PolarHBondContact O-N 3.47Å; R339-N341 PolarHBondContact O-N 2.81Å; R339-T342 HydrophobicContact CB-CG2 3.52Å; R339-T342 WeakPolarHBondContact O-CG2 3.09Å; R339-T342 PolarHBondContact O-N 3.3Å; R339-T342 VanDerWaalsContact O-N 3.1Å; R339-T342 PolarHBondContact O-OG1 3.33Å
340P96.5Very high97.2Very high69 Ų6963 Ų6345%0.44832%0.318SS..THydrogen-bonded Turntrans-60.6-21.8-167.421.1-33.8000115.5R336 L346R336-P340 WeakPolarHBondContact O-CB 3.42Å; P340-L346 WeakPolarHBondContact O-CD2 3.37Å
341N97Very high97.3Very high134 Ų13464 Ų6472%0.71731%0.313SS*.THydrogen-bonded Turntrans-91.65.9-177.5-61.4-27.4000113.6R339R339-N341 PolarHBondContact O-N 2.81Å
342T98.4Very high97.3Very high10 Ų1064.6 Ų64.66%0.06132%0.317CS..SBendtrans-78.6158.3176.867.40000111L326 C327 R339 R344 G345 L346L326-T342 CarbonylContact O-C 3.53Å; L326-T342 VanDerWaalsContact O-CA 3.24Å; L326-T342 WeakPolarHBondContact O-CA 3.42Å; L326-T342 WeakPolarHBondContact O-CB 3.39Å; C327-T342 VanDerWaalsContact O-CB 3.31Å; C327-T342 WeakPolarHBondContact O-CB 3.33Å; C327-T342 PolarHBondContact O-OG1 2.89Å; R339-T342 HydrophobicContact CB-CG2 3.52Å; R339-T342 WeakPolarHBondContact O-CG2 3.09Å; R339-T342 PolarHBondContact O-N 3.3Å; R339-T342 VanDerWaalsContact O-N 3.1Å; R339-T342 PolarHBondContact O-OG1 3.33Å; T342-R344 VanDerWaalsContact C-N 3.3Å; T342-R344 PolarHBondContact O-N 3.1Å; T342-G345 PolarHBondContact O-N 3.18Å; T342-G345 PolarHBondContact OG1-N 2.87Å; T342-L346 WeakPolarHBondContact O-CG 3.3Å; T342-L346 PolarHBondContact O-N 3.28Å
343L98.6Very high97.3Very high1 Ų169 Ų691%0.00533%0.334CS..Hα-helixtrans-56.2-44.9-178.2-59.6177.2000112S262 I263 L326 G345 L346 Y347 V356S262-L343 VanDerWaalsContact CB-CD2 3.48Å; I263-L343 HydrophobicContact CG1-CD1 4.11Å; L326-L343 HydrophobicContact CD2-CD1 4.29Å; L326-L343 HydrophobicContact CG-CD1 4.23Å; L326-L343 HydrophobicContact CG-CG 4.13Å; L326-L343 PolarHBondContact O-N 3.36Å; L343-G345 VanDerWaalsContact C-N 3.33Å; L343-G345 PolarHBondContact O-N 2.84Å; L343-L346 PolarHBondContact O-N 2.9Å; L343-Y347 HydrophobicContact CB-CD2 4.42Å; L343-Y347 HydrophobicContact CD2-CD2 4.31Å; L343-Y347 HydrophobicContact CD2-CE2 3.95Å; L343-Y347 WeakPolarHBondContact O-CB 3.46Å; L343-Y347 VanDerWaalsContact O-CD2 3.27Å; L343-Y347 WeakPolarHBondContact O-CD2 3.35Å; L343-Y347 PolarHBondContact O-N 2.88Å; L343-V356 HydrophobicContact CB-CG2 3.85Å; L343-V356 HydrophobicContact CD1-CG1 4.49Å; L343-V356 HydrophobicContact CD1-CG2 4.15Å
344R98.6Very high97.3Very high14 Ų1463.4 Ų63.45%0.05331%0.308CS..Hα-helixtrans-69.2-31178.3-59.6-179172.4150.1-6112.4C327 G328 P329 P332 A335 T342 G348 N354 V356 C358C327-R344 VanDerWaalsContact O-CB 3.29Å; C327-R344 WeakPolarHBondContact O-CB 3.36Å; C327-R344 WeakPolarHBondContact O-CG 3.43Å; C327-R344 PolarHBondContact O-N 3.44Å; G328-R344 PolarHBondContact O-NH1 3.34Å; P329-R344 WeakPolarHBondContact O-CD 3.38Å; P332-R344 WeakPolarHBondContact CB-O 3.28Å; A335-R344 HydrophobicContact CB-CB 4.37Å; T342-R344 VanDerWaalsContact C-N 3.3Å; T342-R344 PolarHBondContact O-N 3.1Å; R344-G348 VanDerWaalsContact O-CA 3.29Å; R344-G348 WeakPolarHBondContact O-CA 3.35Å; R344-G348 PolarHBondContact O-N 3.32Å; R344-N354 VanDerWaalsContact CG-O 3.31Å; R344-N354 WeakPolarHBondContact CG-O 3.46Å; R344-V356 HydrophobicContact CG-CG2 3.94Å; R344-V356 PolarHBondContact NE-O 2.68Å; R344-V356 VanDerWaalsContact NE-O 3.07Å; R344-V356 PolarHBondContact NH2-O 3.28Å; R344-C358 PolarHBondContact NH2-SG 2.83Å
345G98.3Very high97.4Very high6 Ų659.6 Ų59.66%0.06229%0.288CS..Hα-helixtrans-72.3-39.1175.900000112.8R336 T342 L343R336-G345 WeakPolarHBondContact CG-O 3.27Å; T342-G345 PolarHBondContact O-N 3.18Å; T342-G345 PolarHBondContact OG1-N 2.87Å; L343-G345 VanDerWaalsContact C-N 3.33Å; L343-G345 PolarHBondContact O-N 2.84Å
346L98.3Very high97.4Very high85 Ų8559.6 Ų59.645%0.44529%0.288SS..Hα-helixtrans-77.7-38.8-179.4-69.8172.2000113.1P340 T342 L343P340-L346 WeakPolarHBondContact O-CD2 3.37Å; T342-L346 WeakPolarHBondContact O-CG 3.3Å; T342-L346 PolarHBondContact O-N 3.28Å; L343-L346 PolarHBondContact O-N 2.9Å
347Y98.4Very high97.4Very high36 Ų3654.3 Ų54.314%0.14127%0.268CS..Hα-helixtrans-121.3-10.2-164.7-51.2-55.3000113.8L255 K258 I259 S262 L343L255-Y347 HydrophobicContact CD2-CD1 4.4Å; K258-Y347 HydrophobicContact CB-CE1 3.83Å; K258-Y347 HydrophobicContact CD-CE1 4.15Å; I259-Y347 HydrophobicContact CD1-CD2 4.32Å; I259-Y347 HydrophobicContact CG1-CD2 3.48Å; I259-Y347 VanDerWaalsContact CG1-CD2 3.48Å; I259-Y347 HydrophobicContact CG1-CE2 3.83Å; I259-Y347 HydrophobicContact CG1-CG 4.01Å; S262-Y347 PolarHBondContact OG-OH 2.6Å; L343-Y347 HydrophobicContact CB-CD2 4.42Å; L343-Y347 HydrophobicContact CD2-CD2 4.31Å; L343-Y347 HydrophobicContact CD2-CE2 3.95Å; L343-Y347 WeakPolarHBondContact O-CB 3.46Å; L343-Y347 VanDerWaalsContact O-CD2 3.27Å; L343-Y347 WeakPolarHBondContact O-CD2 3.35Å; L343-Y347 PolarHBondContact O-N 2.88Å
348G97.9Very high97.4Very high11 Ų1147.4 Ų47.411%0.11323%0.233CC..  trans-83.2143.4-178.700000113.3R344R344-G348 VanDerWaalsContact O-CA 3.29Å; R344-G348 WeakPolarHBondContact O-CA 3.35Å; R344-G348 PolarHBondContact O-N 3.32Å
349K96.6Very high97.3Very high93 Ų9341.8 Ų41.840%0.40420%0.203SC..  trans-94.5-53.5176.6-74.9-176.7161.3169.60112.7E253 R353E253-K349 WeakPolarHBondContact OE1-CD 3.36Å; E253-K349 WeakPolarHBondContact OE1-CE 3.44Å; E253-K349 IonicContact OE1-NZ 3.97Å; E253-K349 PolarHBondContact OE1-NZ 3.44Å; E253-K349 WeakPolarHBondContact OE2-CE 3.26Å; E253-K349 IonicContact OE2-NZ 3.44Å; E253-K349 PolarHBondContact OE2-NZ 2.95Å; K349-R353 HydrophobicContact CB-CB 4.15Å; K349-R353 PolarHBondContact N-O 3.24Å
350D96.3Very high96.9Very high51 Ų5138.4 Ų38.427%0.27320%0.195SC..SBendtrans-150-179.7-177.161.556.4000110P332 V352 R353 N354P332-D350 WeakPolarHBondContact CD-O 3.3Å; P332-D350 VanDerWaalsContact CG-O 3.29Å; P332-D350 WeakPolarHBondContact CG-O 3.45Å; D350-V352 PolarHBondContact O-N 3.24Å; D350-V352 WeakPolarHBondContact OD1-CA 3.06Å; D350-V352 PolarHBondContact OD1-N 3.48Å; D350-R353 PolarHBondContact N-O 3.26Å; D350-R353 CarbonylContact O-C 3.57Å; D350-R353 PolarHBondContact O-N 3.46Å; D350-R353 PolarHBondContact OD1-N 2.86Å; D350-R353 IonicContact OD2-CZ 3.68Å; D350-R353 VanDerWaalsContact OD2-CZ 3.27Å; D350-R353 IonicContact OD2-NE 3.88Å; D350-R353 PolarHBondContact OD2-NE 3.02Å; D350-R353 IonicContact OD2-NH2 3.59Å; D350-R353 PolarHBondContact OD2-NH2 3.33Å; D350-N354 WeakPolarHBondContact O-CA 3.47Å; D350-N354 WeakPolarHBondContact O-CB 3.27Å; D350-N354 PolarHBondContact O-N 2.93Å
351K95.9Very high96.4Very high99 Ų9939.4 Ų39.443%0.4320%0.195SC..SBendtrans-60.3-28.6-175.4-63.9-176.2175.8179.70114.4E296 D331E296-K351 HydrophobicContact CG-CB 3.93Å; E296-K351 HydrophobicContact CG-CD 4.18Å; E296-K351 WeakPolarHBondContact OE1-CD 3.25Å; E296-K351 IonicContact OE1-NZ 3.47Å; E296-K351 PolarHBondContact OE1-NZ 3.48Å; E296-K351 VanDerWaalsContact OE1-NZ 3.12Å; D331-K351 HydrophobicContact CB-CG 4.1Å; D331-K351 WeakPolarHBondContact OD2-CE 3.06Å
352V96Very high96Very high34 Ų3436.4 Ų36.421%0.20618%0.183CC..SBendtrans-86.1-50.7178171.60000109.6K247 E296 G299 E303 D350 N354K247-V352 PolarHBondContact NZ-O 3.18Å; E296-V352 HydrophobicContact CB-CG2 4.17Å; E296-V352 HydrophobicContact CG-CG2 4.37Å; G299-V352 VanDerWaalsContact C-CG1 3.49Å; G299-V352 VanDerWaalsContact O-CG1 3.25Å; G299-V352 WeakPolarHBondContact O-CG1 3.32Å; E303-V352 HydrophobicContact CB-CG1 3.6Å; E303-V352 HydrophobicContact CG-CG1 4.2Å; D350-V352 PolarHBondContact O-N 3.24Å; D350-V352 WeakPolarHBondContact OD1-CA 3.06Å; D350-V352 PolarHBondContact OD1-N 3.48Å; V352-N354 VanDerWaalsContact C-N 3.34Å; V352-N354 PolarHBondContact O-N 3.22Å
353R97.4Very high95.5Very high92 Ų9242.4 Ų42.435%0.34721%0.211SC..SBendtrans-90.965177.1-66.3179.5-61.3-177.30.1110.6H249 E303 K349 D350H249-R353 HydrophobicContact CB-CB 4.43Å; H249-R353 HydrophobicContact CB-CG 4.16Å; H249-R353 VanDerWaalsContact CE1-CA 3.46Å; H249-R353 WeakPolarHBondContact CE1-CA 3.4Å; H249-R353 PolarHBondContact NE2-O 2.92Å; E303-R353 HydrophobicContact CG-CG 4.43Å; K349-R353 HydrophobicContact CB-CB 4.15Å; K349-R353 PolarHBondContact N-O 3.24Å; D350-R353 PolarHBondContact N-O 3.26Å; D350-R353 CarbonylContact O-C 3.57Å; D350-R353 PolarHBondContact O-N 3.46Å; D350-R353 PolarHBondContact OD1-N 2.86Å; D350-R353 IonicContact OD2-CZ 3.68Å; D350-R353 VanDerWaalsContact OD2-CZ 3.27Å; D350-R353 IonicContact OD2-NE 3.88Å; D350-R353 PolarHBondContact OD2-NE 3.02Å; D350-R353 IonicContact OD2-NH2 3.59Å; D350-R353 PolarHBondContact OD2-NH2 3.33Å
354N97.6Very high95Very high9 Ų944 Ų445%0.04822%0.219CC..  trans-98.129.2-174.167.4-7.1000114K247 S330 P332 R344 D350 V352 V356K247-N354 WeakPolarHBondContact CD-OD1 3.47Å; K247-N354 VanDerWaalsContact CE-OD1 3.24Å; K247-N354 WeakPolarHBondContact CE-OD1 3.42Å; K247-N354 PolarHBondContact NZ-OD1 2.87Å; S330-N354 WeakPolarHBondContact O-CB 3.33Å; S330-N354 PolarHBondContact O-ND2 2.73Å; P332-N354 HydrophobicContact CG-CB 3.7Å; R344-N354 VanDerWaalsContact CG-O 3.31Å; R344-N354 WeakPolarHBondContact CG-O 3.46Å; D350-N354 WeakPolarHBondContact O-CA 3.47Å; D350-N354 WeakPolarHBondContact O-CB 3.27Å; D350-N354 PolarHBondContact O-N 2.93Å; V352-N354 VanDerWaalsContact C-N 3.34Å; V352-N354 PolarHBondContact O-N 3.22Å; N354-V356 PolarHBondContact O-N 3.37Å
355A98.4Very high94.6Very high0 Ų043.6 Ų43.60%022%0.218CC..SBendtrans61.6-55.2-172.800000117.4K247 H249 A250 I259K247-A355 WeakPolarHBondContact CB-O 3.47Å; K247-A355 PolarHBondContact N-O 2.9Å; H249-A355 WeakPolarHBondContact CE1-CA 3.33Å; H249-A355 PolarHBondContact CE1-N 3.41Å; H249-A355 VanDerWaalsContact NE2-CA 3.31Å; H249-A355 WeakPolarHBondContact NE2-CA 3.42Å; H249-A355 PolarHBondContact NE2-N 3.08Å; A250-A355 HydrophobicContact CB-CB 4.41Å; I259-A355 HydrophobicContact CD1-CB 4.4Å
356V98.6Very high94.3Very high0 Ų045.4 Ų45.40%023%0.228CC..EExtended strand (participates in β ladder)trans-133.8135.1-171.4-620000113.4I245 I259 C327 L343 R344 N354I245-V356 CarbonylContact O-C 3.53Å; I245-V356 VanDerWaalsContact O-CA 3.22Å; I245-V356 WeakPolarHBondContact O-CA 3.42Å; I259-V356 HydrophobicContact CD1-CG1 4.23Å; I259-V356 HydrophobicContact CG2-CG1 4Å; C327-V356 HydrophobicContact CB-CG2 4.31Å; L343-V356 HydrophobicContact CB-CG2 3.85Å; L343-V356 HydrophobicContact CD1-CG1 4.49Å; L343-V356 HydrophobicContact CD1-CG2 4.15Å; R344-V356 HydrophobicContact CG-CG2 3.94Å; R344-V356 PolarHBondContact NE-O 2.68Å; R344-V356 VanDerWaalsContact NE-O 3.07Å; R344-V356 PolarHBondContact NH2-O 3.28Å; N354-V356 PolarHBondContact O-N 3.37Å
357H97.9Very high94.1Very high7 Ų746.2 Ų46.23%0.03223%0.233CC..EExtended strand (participates in β ladder)trans-82.5146156.1-179.570.1000109.3C244 I245 F286 Y287 E368C244-H357 WeakPolarHBondContact CA-O 3.5Å; I245-H357 HydrophobicContact CB-CB 3.88Å; I245-H357 HydrophobicContact CD1-CB 4.19Å; I245-H357 HydrophobicContact CG1-CB 4.09Å; I245-H357 PolarHBondContact N-O 2.9Å; I245-H357 PolarHBondContact O-N 2.61Å; F286-H357 AromaticContact CE1-CD2 3.88Å; F286-H357 AromaticContact CE1-NE2 3.84Å; F286-H357 AromaticContact CZ-CD2 3.62Å; F286-H357 AromaticContact CZ-NE2 3.49Å; F286-H357 WeakPolarHBondContact CZ-NE2 3.3Å; Y287-H357 AromaticContact CE1-ND1 3.77Å; H357-E368 IonicContact CD2-OE2 2.79Å; H357-E368 IonicContact CE1-OE1 2.88Å; H357-E368 IonicContact NE2-OE1 3.27Å; H357-E368 PolarHBondContact NE2-OE1 3.36Å; H357-E368 IonicContact NE2-OE2 2.9Å; H357-E368 PolarHBondContact NE2-OE2 2.88Å
358C96.3Very high94Very high0 Ų045.2 Ų45.20%023%0.229CC..EExtended strand (participates in β ladder)trans-142148.4167.860.60000108.3C243 F323 C327 R344 D360C243-C358 WeakPolarHBondContact O-CA 3.33Å; F323-C358 HydrophobicContact CD1-CB 4.03Å; F323-C358 HydrophobicContact CE1-CB 3.98Å; C327-C358 HydrophobicContact CB-CB 4.32Å; C327-C358 VanDerWaalsContact SG-CB 3.54Å; R344-C358 PolarHBondContact NH2-SG 2.83Å; C358-D360 PolarHBondContact O-N 2.93Å
359T93.9Very high93.9Very high0 Ų044.7 Ų44.70%022%0.224CC..  trans-59.4131.8178.9-42.90000111.2T242 C243 R324 L361 D364 E368T242-T359 VanDerWaalsContact OG1-CB 3.28Å; T242-T359 WeakPolarHBondContact OG1-CB 3.48Å; T242-T359 PolarHBondContact OG1-OG1 2.83Å; T242-T359 VanDerWaalsContact OG1-OG1 3.07Å; C243-T359 WeakPolarHBondContact CB-OG1 3.41Å; C243-T359 PolarHBondContact N-OG1 3.21Å; C243-T359 PolarHBondContact O-N 3.46Å; C243-T359 VanDerWaalsContact O-N 3.14Å; C243-T359 PolarHBondContact O-OG1 3.5Å; R324-T359 VanDerWaalsContact CD-O 3.28Å; R324-T359 WeakPolarHBondContact CD-O 3.44Å; R324-T359 WeakPolarHBondContact CG-O 3.38Å; T359-L361 WeakPolarHBondContact CG2-O 3.5Å; T359-D364 HydrophobicContact CG2-CB 3.73Å; T359-E368 WeakPolarHBondContact CA-OE2 3.12Å; T359-E368 VanDerWaalsContact CB-OE2 3.32Å; T359-E368 WeakPolarHBondContact CB-OE2 3.45Å; T359-E368 HydrophobicContact CG2-CG 4.24Å; T359-E368 PolarHBondContact OG1-OE2 2.92Å
360D87.3Confident93.8Very high56 Ų5644 Ų4430%0.29922%0.222SC..  trans-87.8-38.1-176.7-82.4-14.4000113.1Y290 R324 C358Y290-D360 PolarHBondContact OH-OD2 3.12Å; Y290-D360 VanDerWaalsContact OH-OD2 3.05Å; R324-D360 PolarHBondContact NH1-O 2.92Å; C358-D360 PolarHBondContact O-N 2.93Å
361L87.3Confident93.8Very high89 Ų8942.5 Ų42.547%0.46621%0.212SC..SBendtrans-111.1141.8-176.8-61.3178.6000112T359 E363 D364 S365T359-L361 WeakPolarHBondContact CG2-O 3.5Å; L361-E363 PolarHBondContact O-N 3.21Å; L361-D364 HydrophobicContact CB-CB 4.4Å; L361-D364 PolarHBondContact O-N 2.63Å; L361-S365 PolarHBondContact O-N 3.05Å; L361-S365 PolarHBondContact O-OG 3.35Å; L361-S365 VanDerWaalsContact O-OG 3.08Å
362P87.6Confident93.7Very high71 Ų7137.8 Ų37.846%0.46119%0.192SC..Hα-helixtrans-54.3-38.9174.8-26.135.3000113.4P320 D364 S365P320-P362 HydrophobicContact CG-CB 4.39Å; P320-P362 HydrophobicContact CG-CG 4.22Å; P362-D364 VanDerWaalsContact C-N 3.26Å; P362-D364 PolarHBondContact O-N 3.25Å; P362-S365 WeakPolarHBondContact O-CB 3.46Å; P362-S365 PolarHBondContact O-N 3.34Å; P362-S365 PolarHBondContact O-OG 3.28Å
363E87.8Confident93.7Very high137 Ų13736.3 Ų36.364%0.6418%0.183SC*.Hα-helixtrans-66.6-28.9-177.8-58.374.8-160.300112.4L361L361-E363 PolarHBondContact O-N 3.21Å
364D89.8Confident93.4Very high35 Ų3538.7 Ų38.719%0.18719%0.192CC..Hα-helixtrans-88.2-14.1-178.6-63.7-26.8000112.8T359 L361 P362 V366 L367 E368T359-D364 HydrophobicContact CG2-CB 3.73Å; L361-D364 HydrophobicContact CB-CB 4.4Å; L361-D364 PolarHBondContact O-N 2.63Å; P362-D364 VanDerWaalsContact C-N 3.26Å; P362-D364 PolarHBondContact O-N 3.25Å; D364-V366 PolarHBondContact O-N 2.65Å; D364-L367 PolarHBondContact O-N 2.75Å; D364-L367 VanDerWaalsContact O-N 3.1Å; D364-E368 WeakPolarHBondContact O-CG 3.3Å; D364-E368 PolarHBondContact O-N 2.8Å
365S89Confident93.1Very high4 Ų443.7 Ų43.73%0.02822%0.217CC..Hα-helixtrans-59.5-47.5-168.2-63.90000112.6S241 P320 L361 P362 V369S241-S365 VanDerWaalsContact O-CB 3.27Å; S241-S365 WeakPolarHBondContact O-CB 3.37Å; P320-S365 WeakPolarHBondContact CB-OG 3.27Å; P320-S365 VanDerWaalsContact CG-OG 3.3Å; P320-S365 WeakPolarHBondContact CG-OG 3.28Å; L361-S365 PolarHBondContact O-N 3.05Å; L361-S365 PolarHBondContact O-OG 3.35Å; L361-S365 VanDerWaalsContact O-OG 3.08Å; P362-S365 WeakPolarHBondContact O-CB 3.46Å; P362-S365 PolarHBondContact O-N 3.34Å; P362-S365 PolarHBondContact O-OG 3.28Å; S365-V369 WeakPolarHBondContact O-CG2 3.39Å
366V91.9Very high92.5Very high45 Ų4545.5 Ų45.527%0.27323%0.227SC..Hα-helixtrans-74.3-34.6177.2173.20000111.5C238 D364 V369 Q370C238-V366 HydrophobicContact CB-CG1 4.27Å; C238-V366 WeakPolarHBondContact O-CG1 3.13Å; D364-V366 PolarHBondContact O-N 2.65Å; V366-V369 PolarHBondContact O-N 2.93Å; V366-Q370 HydrophobicContact CG1-CG 4.12Å; V366-Q370 WeakPolarHBondContact O-CB 3.47Å; V366-Q370 VanDerWaalsContact O-CG 3.3Å; V366-Q370 WeakPolarHBondContact O-CG 3.2Å; V366-Q370 PolarHBondContact O-N 3.23Å
367L93.7Very high91.4Very high102 Ų10247.8 Ų47.853%0.53424%0.239SC..Hα-helixtrans-64.8-44.5-178.8-63.8177.1000111.6D364 V369 Q370 Y371D364-L367 PolarHBondContact O-N 2.75Å; D364-L367 VanDerWaalsContact O-N 3.1Å; L367-V369 VanDerWaalsContact C-N 3.33Å; L367-V369 PolarHBondContact O-N 3.28Å; L367-Q370 PolarHBondContact O-N 2.71Å; L367-Y371 WeakPolarHBondContact O-CB 3.38Å; L367-Y371 PolarHBondContact O-N 2.96Å
368E95.9Very high89.2Confident14 Ų1451 Ų517%0.06528%0.275CS..Hα-helixtrans-61.8-41.1176.2-70.2-172.417700111.3C243 F286 H357 T359 D364 Y371 F372C243-E368 HydrophobicContact CB-CB 3.55Å; C243-E368 WeakPolarHBondContact CB-OE2 3.23Å; F286-E368 HydrophobicContact CE2-CB 4.01Å; F286-E368 HydrophobicContact CE2-CG 3.74Å; F286-E368 HydrophobicContact CZ-CG 4.21Å; H357-E368 IonicContact CD2-OE2 2.79Å; H357-E368 IonicContact CE1-OE1 2.88Å; H357-E368 IonicContact NE2-OE1 3.27Å; H357-E368 PolarHBondContact NE2-OE1 3.36Å; H357-E368 IonicContact NE2-OE2 2.9Å; H357-E368 PolarHBondContact NE2-OE2 2.88Å; T359-E368 WeakPolarHBondContact CA-OE2 3.12Å; T359-E368 VanDerWaalsContact CB-OE2 3.32Å; T359-E368 WeakPolarHBondContact CB-OE2 3.45Å; T359-E368 HydrophobicContact CG2-CG 4.24Å; T359-E368 PolarHBondContact OG1-OE2 2.92Å; D364-E368 WeakPolarHBondContact O-CG 3.3Å; D364-E368 PolarHBondContact O-N 2.8Å; E368-Y371 WeakPolarHBondContact O-CB 3.24Å; E368-Y371 PolarHBondContact O-N 3.02Å; E368-F372 VanDerWaalsContact O-CD2 3.31Å; E368-F372 WeakPolarHBondContact O-CD2 3.47Å; E368-F372 PolarHBondContact O-N 3.35Å
369V96.4Very high88.8Confident0 Ų053.6 Ų53.60%029%0.289CS..Hα-helixtrans-64.8-45.4176.3177.40000110.6C238 C243 E313 S365 V366 L367 Y371 F372 F373C238-V369 HydrophobicContact CB-CG1 4.4Å; C243-V369 HydrophobicContact CB-CG2 3.85Å; E313-V369 HydrophobicContact CB-CG1 4.01Å; E313-V369 HydrophobicContact CG-CG1 3.82Å; E313-V369 HydrophobicContact CG-CG2 4.21Å; S365-V369 WeakPolarHBondContact O-CG2 3.39Å; V366-V369 PolarHBondContact O-N 2.93Å; L367-V369 VanDerWaalsContact C-N 3.33Å; L367-V369 PolarHBondContact O-N 3.28Å; V369-Y371 VanDerWaalsContact C-N 3.32Å; V369-Y371 PolarHBondContact O-N 2.92Å; V369-F372 PolarHBondContact O-N 3.27Å; V369-F373 HydrophobicContact CG1-CD2 3.8Å; V369-F373 HydrophobicContact CG1-CE2 4.37Å; V369-F373 WeakPolarHBondContact O-CD2 3.41Å; V369-F373 PolarHBondContact O-N 3.04Å
370Q95.4Very high88.6Confident78 Ų7856.4 Ų56.436%0.36430%0.304SS..Hα-helixtrans-62.7-38.9177.9-74177.6-4.500112.1C238 V366 L367 F372 R374 I375C238-Q370 HydrophobicContact CB-CG 3.73Å; V366-Q370 HydrophobicContact CG1-CG 4.12Å; V366-Q370 WeakPolarHBondContact O-CB 3.47Å; V366-Q370 VanDerWaalsContact O-CG 3.3Å; V366-Q370 WeakPolarHBondContact O-CG 3.2Å; V366-Q370 PolarHBondContact O-N 3.23Å; L367-Q370 PolarHBondContact O-N 2.71Å; Q370-F372 VanDerWaalsContact C-N 3.35Å; Q370-F372 PolarHBondContact O-N 3.22Å; Q370-R374 HydrophobicContact CB-CG 4.4Å; Q370-R374 HydrophobicContact CG-CG 4.44Å; Q370-R374 WeakPolarHBondContact O-CA 3.31Å; Q370-R374 VanDerWaalsContact O-CB 3.22Å; Q370-R374 WeakPolarHBondContact O-CB 3.48Å; Q370-R374 PolarHBondContact O-N 2.82Å; Q370-I375 PolarHBondContact O-N 3.27Å
371Y95.2Very high88.7Confident20 Ų2056.4 Ų56.48%0.07830%0.304CS..Iπ-helixtrans-53.9-51.8176.9-175.5-103.1000111.1N282 E285 F286 L367 E368 V369 I375 L376N282-Y371 VanDerWaalsContact CA-OH 3.27Å; N282-Y371 WeakPolarHBondContact CA-OH 3.35Å; N282-Y371 WeakPolarHBondContact CB-OH 3.45Å; N282-Y371 PolarHBondContact O-OH 3.25Å; N282-Y371 VanDerWaalsContact O-OH 3.09Å; N282-Y371 PolarHBondContact OD1-OH 3.04Å; E285-Y371 HydrophobicContact CG-CE2 4.17Å; E285-Y371 WeakPolarHBondContact OE2-CE2 3.31Å; E285-Y371 PolarHBondContact OE2-OH 2.94Å; F286-Y371 HydrophobicContact CB-CD1 4.49Å; F286-Y371 HydrophobicContact CB-CE1 3.99Å; F286-Y371 AromaticContact CD2-CD1 3.91Å; F286-Y371 HydrophobicContact CD2-CD1 3.91Å; F286-Y371 HydrophobicContact CD2-CE1 4.24Å; L367-Y371 WeakPolarHBondContact O-CB 3.38Å; L367-Y371 PolarHBondContact O-N 2.96Å; E368-Y371 WeakPolarHBondContact O-CB 3.24Å; E368-Y371 PolarHBondContact O-N 3.02Å; V369-Y371 VanDerWaalsContact C-N 3.32Å; V369-Y371 PolarHBondContact O-N 2.92Å; Y371-I375 HydrophobicContact CD2-CD1 4.13Å; Y371-I375 VanDerWaalsContact O-CB 3.31Å; Y371-I375 WeakPolarHBondContact O-CB 3.49Å; Y371-I375 PolarHBondContact O-N 3.44Å; Y371-L376 HydrophobicContact CD1-CD1 3.93Å; Y371-L376 HydrophobicContact CD1-CG 4.27Å; Y371-L376 HydrophobicContact CE1-CD1 3.44Å; Y371-L376 VanDerWaalsContact CE1-CD1 3.44Å; Y371-L376 HydrophobicContact CE1-CD2 4.42Å; Y371-L376 HydrophobicContact CE1-CG 3.95Å; Y371-L376 PolarHBondContact O-N 2.93Å
372F95.4Very high88.7Confident1 Ų154.5 Ų54.50%0.00429%0.294CS..Iπ-helixtrans-73.7-48.2179.6-71.5-75.2000113.6I245 F276 I278 F286 V311 E368 V369 Q370 L376 D377I245-F372 HydrophobicContact CD1-CE2 3.63Å; I245-F372 HydrophobicContact CD1-CZ 3.6Å; I245-F372 HydrophobicContact CG1-CE2 4.32Å; F276-F372 HydrophobicContact CD2-CD1 4.28Å; F276-F372 HydrophobicContact CE2-CB 4.12Å; F276-F372 HydrophobicContact CE2-CD1 4.36Å; F276-F372 HydrophobicContact CG-CD1 4.36Å; F276-F372 HydrophobicContact CZ-CB 4.02Å; F276-F372 WeakPolarHBondContact CZ-O 2.96Å; I278-F372 HydrophobicContact CD1-CD1 4.19Å; I278-F372 HydrophobicContact CD1-CE1 3.62Å; I278-F372 HydrophobicContact CG1-CE1 4.21Å; F286-F372 HydrophobicContact CD1-CZ 4.49Å; F286-F372 AromaticContact CD2-CE2 3.68Å; F286-F372 HydrophobicContact CD2-CE2 3.68Å; F286-F372 AromaticContact CD2-CZ 3.93Å; F286-F372 HydrophobicContact CD2-CZ 3.93Å; F286-F372 HydrophobicContact CE2-CD2 4.39Å; F286-F372 AromaticContact CE2-CE2 3.41Å; F286-F372 HydrophobicContact CE2-CE2 3.41Å; F286-F372 VanDerWaalsContact CE2-CE2 3.41Å; F286-F372 HydrophobicContact CE2-CZ 4.03Å; F286-F372 HydrophobicContact CG-CE2 4.36Å; F286-F372 HydrophobicContact CG-CZ 4.18Å; F286-F372 AromaticContact CZ-CE2 3.87Å; F286-F372 HydrophobicContact CZ-CE2 3.87Å; F286-F372 HydrophobicContact CZ-CZ 4.35Å; V311-F372 HydrophobicContact CB-CB 4.44Å; V311-F372 HydrophobicContact CB-CG 4.26Å; V311-F372 HydrophobicContact CG1-CB 3.89Å; V311-F372 HydrophobicContact CG1-CD1 4.47Å; V311-F372 HydrophobicContact CG1-CD2 3.7Å; V311-F372 HydrophobicContact CG1-CE2 4.36Å; V311-F372 HydrophobicContact CG1-CG 3.77Å; V311-F372 HydrophobicContact CG2-CB 4.43Å; V311-F372 HydrophobicContact CG2-CD1 3.66Å; V311-F372 HydrophobicContact CG2-CD2 4.13Å; V311-F372 HydrophobicContact CG2-CE1 3.87Å; V311-F372 HydrophobicContact CG2-CE2 4.31Å; V311-F372 HydrophobicContact CG2-CG 3.81Å; V311-F372 HydrophobicContact CG2-CZ 4.2Å; E368-F372 VanDerWaalsContact O-CD2 3.31Å; E368-F372 WeakPolarHBondContact O-CD2 3.47Å; E368-F372 PolarHBondContact O-N 3.35Å; V369-F372 PolarHBondContact O-N 3.27Å; Q370-F372 VanDerWaalsContact C-N 3.35Å; Q370-F372 PolarHBondContact O-N 3.22Å; F372-L376 HydrophobicContact CD1-CD1 3.72Å; F372-L376 HydrophobicContact CE1-CD1 3.89Å; F372-D377 PolarHBondContact O-N 3.42Å
373F94.9Very high88.8Confident3 Ų353.5 Ų53.51%0.01328%0.284CS..Iπ-helixtrans-91.7-4.4-168.2-68-77.8000114.9N234 A236 A272 Q274 V311 E313 V369N234-F373 HydrophobicContact CB-CD1 4.1Å; N234-F373 PolarHBondContact ND2-O 3.09Å; A236-F373 HydrophobicContact CB-CB 3.5Å; A236-F373 VanDerWaalsContact CB-CB 3.5Å; A236-F373 HydrophobicContact CB-CD1 3.92Å; A236-F373 HydrophobicContact CB-CD2 3.94Å; A236-F373 HydrophobicContact CB-CG 3.53Å; A272-F373 HydrophobicContact CB-CD1 4.29Å; A272-F373 HydrophobicContact CB-CE1 3.73Å; A272-F373 HydrophobicContact CB-CE2 4.28Å; A272-F373 HydrophobicContact CB-CZ 3.73Å; Q274-F373 HydrophobicContact CB-CD1 4.42Å; Q274-F373 HydrophobicContact CB-CE1 3.64Å; Q274-F373 HydrophobicContact CB-CZ 4.37Å; V311-F373 HydrophobicContact CB-CZ 4.45Å; V311-F373 HydrophobicContact CG1-CE2 3.83Å; V311-F373 HydrophobicContact CG1-CZ 4.24Å; E313-F373 HydrophobicContact CB-CE2 4.25Å; V369-F373 HydrophobicContact CG1-CD2 3.8Å; V369-F373 HydrophobicContact CG1-CE2 4.37Å; V369-F373 WeakPolarHBondContact O-CD2 3.41Å; V369-F373 PolarHBondContact O-N 3.04Å
374R91.5Very high88.9Confident141 Ų14147.9 Ų47.953%0.53226%0.26SS..Iπ-helixtrans-126.2-36.7177.1-54.1-66.7-174.8-160.7-3.9113.3A236 Q370A236-R374 PolarHBondContact O-NH2 3.35Å; Q370-R374 HydrophobicContact CB-CG 4.4Å; Q370-R374 HydrophobicContact CG-CG 4.44Å; Q370-R374 WeakPolarHBondContact O-CA 3.31Å; Q370-R374 VanDerWaalsContact O-CB 3.22Å; Q370-R374 WeakPolarHBondContact O-CB 3.48Å; Q370-R374 PolarHBondContact O-N 2.82Å
375I90.1Very high88.8Confident114 Ų11448.9 Ų48.959%0.58527%0.265SS*.Iπ-helixtrans-91.8-51.1-177.6-55.8178.3000110.3Q370 Y371Q370-I375 PolarHBondContact O-N 3.27Å; Y371-I375 HydrophobicContact CD2-CD1 4.13Å; Y371-I375 VanDerWaalsContact O-CB 3.31Å; Y371-I375 WeakPolarHBondContact O-CB 3.49Å; Y371-I375 PolarHBondContact O-N 3.44Å
376L86.8Confident88.8Confident39 Ų3952.3 Ų52.320%0.20428%0.284CS..Iπ-helixtrans-84.1-22.3-178.7-61.7-173.2000114.3F276 I278 N282 Y371 F372 G378F276-L376 HydrophobicContact CE1-CB 4.24Å; I278-L376 HydrophobicContact CD1-CD1 3.92Å; N282-L376 HydrophobicContact CB-CD2 4.37Å; Y371-L376 HydrophobicContact CD1-CD1 3.93Å; Y371-L376 HydrophobicContact CD1-CG 4.27Å; Y371-L376 HydrophobicContact CE1-CD1 3.44Å; Y371-L376 VanDerWaalsContact CE1-CD1 3.44Å; Y371-L376 HydrophobicContact CE1-CD2 4.42Å; Y371-L376 HydrophobicContact CE1-CG 3.95Å; Y371-L376 PolarHBondContact O-N 2.93Å; F372-L376 HydrophobicContact CD1-CD1 3.72Å; F372-L376 HydrophobicContact CE1-CD1 3.89Å; L376-G378 PolarHBondContact O-N 3.02Å
377D76.2Confident88.5Confident47 Ų4752.9 Ų52.925%0.25129%0.285SS..THydrogen-bonded Turntrans-7724.2173.4-166.239.2000113.2N234 Q274 F372N234-D377 PolarHBondContact ND2-OD2 3.42Å; Q274-D377 PolarHBondContact NE2-OD1 3.2Å; Q274-D377 PolarHBondContact OE1-OD1 3.41Å; F372-D377 PolarHBondContact O-N 3.42Å
378G51.1Low88.1Confident76 Ų7648.5 Ų48.578%0.78426%0.262SS*.  trans-87.60178.200000112.5V228 L376V228-G378 WeakPolarHBondContact CB-OXT 3.26Å; V228-G378 WeakPolarHBondContact CG1-OXT 3.21Å; V228-G378 VanDerWaalsContact CG2-OXT 3.24Å; V228-G378 WeakPolarHBondContact CG2-OXT 3.46Å; L376-G378 PolarHBondContact O-N 3.02Å

Retrieved 378 of 378 residues in 374.4 ms (Link to these results)

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